(3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate

C10H15ClO2 — CID 12933601

IUPAC(3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=C(Cl)CCC1(C)C
InChIInChI=1S/C10H15ClO2/c1-7(12)13-9-6-8(11)4-5-10(9,2)3/h6,9H,4-5H2,1-3H3
InChIKeyBICVDUWXFRHVJN-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.86
Rot. Bonds1

About (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate

(3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate (PubChem CID 12933601) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Name(3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate
PubChem CID12933601
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name(3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=C(Cl)CCC1(C)C
InChIInChI=1S/C10H15ClO2/c1-7(12)13-9-6-8(11)4-5-10(9,2)3/h6,9H,4-5H2,1-3H3
InChIKeyBICVDUWXFRHVJN-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5,5-Trimethylcyclohex-2-en-1-yl) acetate
CID 10976128
(1r,5r)-2-Methyl-5-(1-methyl-1-chloroethyl)-2-cyclohexen-1-yl acetate
CID 129738740
2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate
CID 538648
(4,4-Dimethylcyclohex-2-en-1-yl) acetate
CID 10397191
[(1R)-3,5,5-trimethylcyclohex-2-en-1-yl] acetate
CID 12215825
(6,6-Dimethylcyclohex-2-en-1-yl) acetate
CID 12933596
1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate
CID 146246610
(5,5-Dimethylcyclohex-2-en-1-yl) acetate
CID 153698186
(6,6-Dimethylcyclohex-2-en-1-yl) propanoate
CID 153871059
(5,5-Dimethylcyclohex-2-en-1-yl) propanoate
CID 153871060
(4-Chloro-2,6-dimethylcyclohex-2-en-1-yl) acetate
CID 164165888
(2-Chloro-5,5-dimethylcyclopent-2-en-1-yl) prop-2-enoate
CID 175021485

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate?
The IUPAC name of (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate (CID 12933601) is (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate.
What is the SMILES notation for (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate?
The canonical SMILES for (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate is CC(=O)OC1C=C(Cl)CCC1(C)C.
What is the InChIKey of (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate?
The InChIKey is BICVDUWXFRHVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-7(12)13-9-6-8(11)4-5-10(9,2)3/h6,9H,4-5H2,1-3H3.
What are the key properties of (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate?
(3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate has a molecular weight of 202.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6,6-dimethylcyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 12933601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).