methanol;methylidenecyclohexane

C8H16O — CID 175367336

IUPACmethanol;methylidenecyclohexane
SMILESC=C1CCCCC1.CO
InChIInChI=1S/C7H12.CH4O/c1-7-5-3-2-4-6-7;1-2/h1-6H2;2H,1H3
InChIKeyNYKVHRCDWPIWBW-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.12
Rot. Bonds

About methanol;methylidenecyclohexane

methanol;methylidenecyclohexane (PubChem CID 175367336) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is methanol;methylidenecyclohexane.

Molecular Properties

Compound Namemethanol;methylidenecyclohexane
PubChem CID175367336
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namemethanol;methylidenecyclohexane
SMILESC=C1CCCCC1.CO
InChIInChI=1S/C7H12.CH4O/c1-7-5-3-2-4-6-7;1-2/h1-6H2;2H,1H3
InChIKeyNYKVHRCDWPIWBW-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;methylidenecyclohexane?
The IUPAC name of methanol;methylidenecyclohexane (CID 175367336) is methanol;methylidenecyclohexane.
What is the SMILES notation for methanol;methylidenecyclohexane?
The canonical SMILES for methanol;methylidenecyclohexane is C=C1CCCCC1.CO.
What is the InChIKey of methanol;methylidenecyclohexane?
The InChIKey is NYKVHRCDWPIWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CH4O/c1-7-5-3-2-4-6-7;1-2/h1-6H2;2H,1H3.
What are the key properties of methanol;methylidenecyclohexane?
methanol;methylidenecyclohexane has a molecular weight of 128.22 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methylidenecyclohexane is sourced from PubChem (CID 175367336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).