methylidenecyclohexane

C7H12 — CID 14502

IUPACmethylidenecyclohexane
SMILESC=C1CCCCC1
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKeyYULMNMJFAZWLLN-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.51
Rot. Bonds

About methylidenecyclohexane

methylidenecyclohexane (PubChem CID 14502) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is methylidenecyclohexane.

Molecular Properties

Compound Namemethylidenecyclohexane
PubChem CID14502
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Namemethylidenecyclohexane
SMILESC=C1CCCCC1
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKeyYULMNMJFAZWLLN-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.51
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

2-Methyl-1-hexene
CID 22468
1,2,4-Trimethylenecyclohexane
CID 570705
Ethenylidenecyclohexane
CID 138557
Cyclohexane, 1,4-bis(methylene)-
CID 21083
Cyclohexane, 1,2-bis(methylene)-
CID 137733
3-Methylidenehexane
CID 520668
Fluoromethylidenecyclohexane
CID 135059926
Radialene
CID 12314875
Cyclohexane, 1,3-bis(methylene)-
CID 142905
Trimeth ylidenecyclohexane
CID 10057492
Cyclohexane, (iodomethylene)-
CID 11074956
1,3,5-Trimethylenecyclohexane
CID 12603038

Frequently Asked Questions

What is the IUPAC name of methylidenecyclohexane?
The IUPAC name of methylidenecyclohexane (CID 14502) is methylidenecyclohexane.
What is the SMILES notation for methylidenecyclohexane?
The canonical SMILES for methylidenecyclohexane is C=C1CCCCC1.
What is the InChIKey of methylidenecyclohexane?
The InChIKey is YULMNMJFAZWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2.
What are the key properties of methylidenecyclohexane?
methylidenecyclohexane has a molecular weight of 96.17 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidenecyclohexane is sourced from PubChem (CID 14502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).