methyl 2-(4-cyclohexylcyclohexylidene)acetate

C15H24O2 — CID 118992205

IUPACmethyl 2-(4-cyclohexylcyclohexylidene)acetate
SMILESCOC(=O)C=C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H24O2/c1-17-15(16)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3/b12-11-
InChIKeyBBZCQAYHOKJQAP-QXMHVHEDSA-N
MW236.35 g/mol
LogP3.86
Rot. Bonds2

About methyl 2-(4-cyclohexylcyclohexylidene)acetate

methyl 2-(4-cyclohexylcyclohexylidene)acetate (PubChem CID 118992205) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is methyl 2-(4-cyclohexylcyclohexylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyclohexylcyclohexylidene)acetate
PubChem CID118992205
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namemethyl 2-(4-cyclohexylcyclohexylidene)acetate
SMILESCOC(=O)C=C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H24O2/c1-17-15(16)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3/b12-11-
InChIKeyBBZCQAYHOKJQAP-QXMHVHEDSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(methoxymethyl)cyclohexylidene]acetate
CID 13460372
methyl (2E)-2-(azepan-4-ylidene)acetate
CID 83846133
methyl 2-(1-acetylpiperidin-4-ylidene)acetate
CID 130490640
methyl 2-(1,1-dioxothian-4-ylidene)acetate
CID 79025898
methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate
CID 107449473
methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate
CID 177162204
methyl 2-[4-(4-carbamoylphenyl)cyclohexylidene]acetate
CID 174776582
methyl (2E)-2-[(2Z)-2-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10466192
methyl 2-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ylidene)acetate
CID 171951556
propan-2-yl 2-(4-hydroxycyclohexylidene)acetate
CID 102199406
methyl 2-(2-prop-1-en-2-ylcyclohexylidene)acetate
CID 71335111
methyl 2-(3-cyanocyclobutylidene)acetate
CID 155321008

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclohexylcyclohexylidene)acetate?
The IUPAC name of methyl 2-(4-cyclohexylcyclohexylidene)acetate (CID 118992205) is methyl 2-(4-cyclohexylcyclohexylidene)acetate.
What is the SMILES notation for methyl 2-(4-cyclohexylcyclohexylidene)acetate?
The canonical SMILES for methyl 2-(4-cyclohexylcyclohexylidene)acetate is COC(=O)C=C1CCC(C2CCCCC2)CC1.
What is the InChIKey of methyl 2-(4-cyclohexylcyclohexylidene)acetate?
The InChIKey is BBZCQAYHOKJQAP-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H24O2/c1-17-15(16)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3/b12-11-.
What are the key properties of methyl 2-(4-cyclohexylcyclohexylidene)acetate?
methyl 2-(4-cyclohexylcyclohexylidene)acetate has a molecular weight of 236.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclohexylcyclohexylidene)acetate is sourced from PubChem (CID 118992205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).