CAS
94135-90-7 Purity
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94135-90-7 Purity
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5,5-Dimethyl-3-decen-2-one
CAS
94135-96-3
Catalog Number
ACM94135963
Category
Other Products
Molecular Weight
182.302480 [g/mol]
Molecular Formula
C12H22O
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Specification
Synonyms
5,5-Dimethyl-3-decen-2-one, EINECS 302-968-2, CID6366465, 94135-96-3
IUPAC Name
(E)-5,5-dimethyldec-3-en-2-one
Canonical SMILES
CCCCCC(C)(C)C=CC(=O)C
InChI Key
FEDALTYBCNYVKG-CSKARUKUSA-N
Boiling Point
250.4ºC at 760mmHg
Flash Point
113.2ºC
Density
0.838g/cm³
EC Number
302-968-2
Exact Mass
182.16700
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 5,5-Dimethyl-3-decen-2-one?
The molecular formula is C12H22O.
When was 5,5-Dimethyl-3-decen-2-one created and modified?
It was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of 5,5-Dimethyl-3-decen-2-one?
The IUPAC name is (E)-5,5-dimethyldec-3-en-2-one.
What is the InChI of 5,5-Dimethyl-3-decen-2-one?
The InChI is InChI=1S/C12H22O/c1-5-6-7-9-12(3,4)10-8-11(2)13/h8,10H,5-7,9H2,1-4H3/b10-8+.
What is the InChIKey of 5,5-Dimethyl-3-decen-2-one?
The InChIKey is FEDALTYBCNYVKG-CSKARUKUSA-N.
What is the Canonical SMILES of 5,5-Dimethyl-3-decen-2-one?
The Canonical SMILES is CCCCCC(C)(C)C=CC(=O)C.
How many hydrogen bond donor counts does 5,5-Dimethyl-3-decen-2-one have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 5,5-Dimethyl-3-decen-2-one?
The topological polar surface area is 17.1 Ų.
How many rotatable bond counts does 5,5-Dimethyl-3-decen-2-one have?
It has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
94136-00-2 Purity
96%
94136-00-2 Purity
96%
