methanol;1-methylbicyclo[2.2.1]hept-2-ene

C9H16O — CID 118468012

IUPACmethanol;1-methylbicyclo[2.2.1]hept-2-ene
SMILESCC12C=CC(CC1)C2.CO
InChIInChI=1S/C8H12.CH4O/c1-8-4-2-7(6-8)3-5-8;1-2/h2,4,7H,3,5-6H2,1H3;2H,1H3
InChIKeyUYOBUNFKTDXZKX-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds

About methanol;1-methylbicyclo[2.2.1]hept-2-ene

methanol;1-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 118468012) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is methanol;1-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Namemethanol;1-methylbicyclo[2.2.1]hept-2-ene
PubChem CID118468012
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namemethanol;1-methylbicyclo[2.2.1]hept-2-ene
SMILESCC12C=CC(CC1)C2.CO
InChIInChI=1S/C8H12.CH4O/c1-8-4-2-7(6-8)3-5-8;1-2/h2,4,7H,3,5-6H2,1H3;2H,1H3
InChIKeyUYOBUNFKTDXZKX-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
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;1-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of methanol;1-methylbicyclo[2.2.1]hept-2-ene (CID 118468012) is methanol;1-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for methanol;1-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for methanol;1-methylbicyclo[2.2.1]hept-2-ene is CC12C=CC(CC1)C2.CO.
What is the InChIKey of methanol;1-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is UYOBUNFKTDXZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.CH4O/c1-8-4-2-7(6-8)3-5-8;1-2/h2,4,7H,3,5-6H2,1H3;2H,1H3.
What are the key properties of methanol;1-methylbicyclo[2.2.1]hept-2-ene?
methanol;1-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 140.23 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 118468012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).