2-(hydroxymethyl)cycloheptan-1-ol

C8H16O2 — CID 23443120

IUPAC2-(hydroxymethyl)cycloheptan-1-ol
SMILESOCC1CCCCCC1O
InChIInChI=1S/C8H16O2/c9-6-7-4-2-1-3-5-8(7)10/h7-10H,1-6H2
InChIKeyXRYGSGBIUMPRCS-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds1

About 2-(hydroxymethyl)cycloheptan-1-ol

2-(hydroxymethyl)cycloheptan-1-ol (PubChem CID 23443120) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)cycloheptan-1-ol
PubChem CID23443120
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(hydroxymethyl)cycloheptan-1-ol
SMILESOCC1CCCCCC1O
InChIInChI=1S/C8H16O2/c9-6-7-4-2-1-3-5-8(7)10/h7-10H,1-6H2
InChIKeyXRYGSGBIUMPRCS-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)cycloheptan-1-ol?
The IUPAC name of 2-(hydroxymethyl)cycloheptan-1-ol (CID 23443120) is 2-(hydroxymethyl)cycloheptan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)cycloheptan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)cycloheptan-1-ol is OCC1CCCCCC1O.
What is the InChIKey of 2-(hydroxymethyl)cycloheptan-1-ol?
The InChIKey is XRYGSGBIUMPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c9-6-7-4-2-1-3-5-8(7)10/h7-10H,1-6H2.
What are the key properties of 2-(hydroxymethyl)cycloheptan-1-ol?
2-(hydroxymethyl)cycloheptan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cycloheptan-1-ol is sourced from PubChem (CID 23443120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).