cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate

C15H24O2 — CID 10922543

IUPACcyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate
SMILESC=C1CCCC[C@@H]1CC(=O)OC1CCCCC1
InChIInChI=1S/C15H24O2/c1-12-7-5-6-8-13(12)11-15(16)17-14-9-3-2-4-10-14/h13-14H,1-11H2/t13-/m1/s1
InChIKeyNMANTXFRPPRRAM-CYBMUJFWSA-N
MW236.35 g/mol
LogP4.00
Rot. Bonds3

About cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate

cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate (PubChem CID 10922543) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate
PubChem CID10922543
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate
SMILESC=C1CCCC[C@@H]1CC(=O)OC1CCCCC1
InChIInChI=1S/C15H24O2/c1-12-7-5-6-8-13(12)11-15(16)17-14-9-3-2-4-10-14/h13-14H,1-11H2/t13-/m1/s1
InChIKeyNMANTXFRPPRRAM-CYBMUJFWSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,7R)-4-isopropenyl-7-methyloxepan-2-one
CID 443168
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
CID 443182
Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
4-Isopropenyl-7-methyloxepan-2-one
CID 4488496
Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
11-Methylidene-3-oxaspiro[5.5]undecan-4-one
CID 9989846
Ethyl 2-(4-methylenecyclohexyl)acetate
CID 11095257
Ethyl 3-methylidenecyclohexane-1-carboxylate
CID 11819423
Cyclohexyl 3-cyclohexylpropanoate
CID 222405
Cyclohexyl 2-cyclohexylacetate
CID 251225
(4S,7S)-7-methyl-4-prop-1-en-2-yloxepan-2-one
CID 101191578
Ethyl 4-methyl-2-[(1-methyl-3-oxocyclohexyl)methyl]pent-4-enoate
CID 101265618

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate?
The IUPAC name of cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate (CID 10922543) is cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate.
What is the SMILES notation for cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate?
The canonical SMILES for cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate is C=C1CCCC[C@@H]1CC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate?
The InChIKey is NMANTXFRPPRRAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24O2/c1-12-7-5-6-8-13(12)11-15(16)17-14-9-3-2-4-10-14/h13-14H,1-11H2/t13-/m1/s1.
What are the key properties of cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate?
cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate has a molecular weight of 236.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(1R)-2-methylidenecyclohexyl]acetate is sourced from PubChem (CID 10922543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).