[3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol

C10H16O2 — CID 14763889

IUPAC[3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC1(CO)C2C=CC(C2)C1CO
InChIInChI=1S/C10H16O2/c1-10(6-12)8-3-2-7(4-8)9(10)5-11/h2-3,7-9,11-12H,4-6H2,1H3
InChIKeySDPWSSMIFMDKEA-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.80
Rot. Bonds2

About [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol

[3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 14763889) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID14763889
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC1(CO)C2C=CC(C2)C1CO
InChIInChI=1S/C10H16O2/c1-10(6-12)8-3-2-7(4-8)9(10)5-11/h2-3,7-9,11-12H,4-6H2,1H3
InChIKeySDPWSSMIFMDKEA-UHFFFAOYSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 14763889) is [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is CC1(CO)C2C=CC(C2)C1CO.
What is the InChIKey of [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is SDPWSSMIFMDKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(6-12)8-3-2-7(4-8)9(10)5-11/h2-3,7-9,11-12H,4-6H2,1H3.
What are the key properties of [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 168.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 14763889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).