(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol

C9H14O2 — CID 140537825

IUPAC(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol
SMILESCC1=C(C(O)O)C2CCC1C2
InChIInChI=1S/C9H14O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h6-7,9-11H,2-4H2,1H3
InChIKeyZYCPPOMKFRDDBW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.04
Rot. Bonds1

About (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol

(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol (PubChem CID 140537825) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol.

Molecular Properties

Compound Name(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol
PubChem CID140537825
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol
SMILESCC1=C(C(O)O)C2CCC1C2
InChIInChI=1S/C9H14O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h6-7,9-11H,2-4H2,1H3
InChIKeyZYCPPOMKFRDDBW-UHFFFAOYSA-N
XLogP1.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol?
The IUPAC name of (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol (CID 140537825) is (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol.
What is the SMILES notation for (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol?
The canonical SMILES for (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol is CC1=C(C(O)O)C2CCC1C2.
What is the InChIKey of (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol?
The InChIKey is ZYCPPOMKFRDDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h6-7,9-11H,2-4H2,1H3.
What are the key properties of (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol?
(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol has a molecular weight of 154.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methanediol is sourced from PubChem (CID 140537825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).