2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol

C10H16O2 — CID 54010181

IUPAC2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol
SMILESC=C1C2CCC(O)(C2)C1(C)CO
InChIInChI=1S/C10H16O2/c1-7-8-3-4-10(12,5-8)9(7,2)6-11/h8,11-12H,1,3-6H2,2H3
InChIKeyKRTWHFJZPTVDKM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.09
Rot. Bonds1

About 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol

2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol (PubChem CID 54010181) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol
PubChem CID54010181
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol
SMILESC=C1C2CCC(O)(C2)C1(C)CO
InChIInChI=1S/C10H16O2/c1-7-8-3-4-10(12,5-8)9(7,2)6-11/h8,11-12H,1,3-6H2,2H3
InChIKeyKRTWHFJZPTVDKM-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.09
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 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol (CID 54010181) is 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol is C=C1C2CCC(O)(C2)C1(C)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol?
The InChIKey is KRTWHFJZPTVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-8-3-4-10(12,5-8)9(7,2)6-11/h8,11-12H,1,3-6H2,2H3.
What are the key properties of 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol?
2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-1-ol is sourced from PubChem (CID 54010181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).