(1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate

C15H24O2 — CID 150894528

IUPAC(1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate
SMILESCC1CC=C(C(=O)OC2(C)CCCCC2)CC1
InChIInChI=1S/C15H24O2/c1-12-6-8-13(9-7-12)14(16)17-15(2)10-4-3-5-11-15/h8,12H,3-7,9-11H2,1-2H3
InChIKeyKYSARYZHOMRQJP-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.00
Rot. Bonds2

About (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate

(1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate (PubChem CID 150894528) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate
PubChem CID150894528
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate
SMILESCC1CC=C(C(=O)OC2(C)CCCCC2)CC1
InChIInChI=1S/C15H24O2/c1-12-6-8-13(9-7-12)14(16)17-15(2)10-4-3-5-11-15/h8,12H,3-7,9-11H2,1-2H3
InChIKeyKYSARYZHOMRQJP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-Juvabione
CID 86634
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester
CID 557966
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
CID 4453437
Juvabione
CID 442381
Methyl (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 14159029
(4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 6992081
Perillate
CID 9543109
methyl (4R)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
CID 10923485
methyl (4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]cyclohexene-1-carboxylate
CID 15558822
(5S,S)-5-methyl-3-(3-methylpentyl)furan-2(5H)-one
CID 16090236
Dehydrojuvabione
CID 85259
2,5-Furandione, dihydro-3-(isooctenyl)-
CID 119961

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate?
The IUPAC name of (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate (CID 150894528) is (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate.
What is the SMILES notation for (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate?
The canonical SMILES for (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate is CC1CC=C(C(=O)OC2(C)CCCCC2)CC1.
What is the InChIKey of (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate?
The InChIKey is KYSARYZHOMRQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12-6-8-13(9-7-12)14(16)17-15(2)10-4-3-5-11-15/h8,12H,3-7,9-11H2,1-2H3.
What are the key properties of (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate?
(1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 4-methylcyclohexene-1-carboxylate is sourced from PubChem (CID 150894528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).