(1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane

C14H22 — CID 10465138

IUPAC(1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane
SMILESCC1CCC(=C2[C@H]3CCCC[C@@H]23)CC1
InChIInChI=1S/C14H22/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)14/h10,12-13H,2-9H2,1H3/b14-11-/t10?,12-,13+
InChIKeyYHSYRUAMQHIXPX-DRUMNVBWSA-N
MW190.33 g/mol
LogP4.31
Rot. Bonds

About (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane

(1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane (PubChem CID 10465138) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane
PubChem CID10465138
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane
SMILESCC1CCC(=C2[C@H]3CCCC[C@@H]23)CC1
InChIInChI=1S/C14H22/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)14/h10,12-13H,2-9H2,1H3/b14-11-/t10?,12-,13+
InChIKeyYHSYRUAMQHIXPX-DRUMNVBWSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-(1-Methylethylidene)bicyclo(4.1.0)heptane
CID 40707
Bicyclo[4.1.0]heptane, 7-bicyclo[4.1.0]hept-7-ylidene-
CID 562714
7-Propylidene-bicyclo[4.1.0]heptane
CID 556456
Bicyclo(4.1.0)heptane, 7-(2-methyl-1-propenylidene)-
CID 138290
Bwhtyiqorhhvcd-uhfffaoysa-
CID 14974781
1-Methyl-4-(4-methylcyclohexylidene)cyclohexane
CID 134993590
7-Octylidenebicyclo(4.1.0)heptane
CID 584950
1-Cyclohexylethylidenecyclohexane
CID 86060752
7-Cyclohexylidenebicyclo[4.1.0]heptane
CID 12537062
(1S,6R)-7-[(1R,6S)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
CID 12554015
7-Pentan-3-ylidenebicyclo[4.1.0]heptane
CID 15447882
7-(3-Methylbuta-1,2-dien-1-ylidene)bicyclo[4.1.0]heptane
CID 71333998

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane (CID 10465138) is (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane is CC1CCC(=C2[C@H]3CCCC[C@@H]23)CC1.
What is the InChIKey of (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane?
The InChIKey is YHSYRUAMQHIXPX-DRUMNVBWSA-N. The full InChI is InChI=1S/C14H22/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)14/h10,12-13H,2-9H2,1H3/b14-11-/t10?,12-,13+.
What are the key properties of (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane?
(1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane has a molecular weight of 190.33 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7-(4-methylcyclohexylidene)bicyclo[4.1.0]heptane is sourced from PubChem (CID 10465138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).