2-(hydroxymethyl)cycloheptan-1-one

C8H14O2 — CID 13140470

IUPAC2-(hydroxymethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1CO
InChIInChI=1S/C8H14O2/c9-6-7-4-2-1-3-5-8(7)10/h7,9H,1-6H2
InChIKeyKCAVOGZLZICBCH-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

About 2-(hydroxymethyl)cycloheptan-1-one

2-(hydroxymethyl)cycloheptan-1-one (PubChem CID 13140470) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)cycloheptan-1-one
PubChem CID13140470
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(hydroxymethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1CO
InChIInChI=1S/C8H14O2/c9-6-7-4-2-1-3-5-8(7)10/h7,9H,1-6H2
InChIKeyKCAVOGZLZICBCH-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
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2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one
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2-(aminomethyl)cycloheptan-1-one
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(2S)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-one
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CID 164771739
3-(2-oxocyclododecyl)propanoyl chloride
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2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
CID 79429302
trifluoro-[(2-oxocycloheptyl)methyl]boranuide
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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)cycloheptan-1-one?
The IUPAC name of 2-(hydroxymethyl)cycloheptan-1-one (CID 13140470) is 2-(hydroxymethyl)cycloheptan-1-one.
What is the SMILES notation for 2-(hydroxymethyl)cycloheptan-1-one?
The canonical SMILES for 2-(hydroxymethyl)cycloheptan-1-one is O=C1CCCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)cycloheptan-1-one?
The InChIKey is KCAVOGZLZICBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-7-4-2-1-3-5-8(7)10/h7,9H,1-6H2.
What are the key properties of 2-(hydroxymethyl)cycloheptan-1-one?
2-(hydroxymethyl)cycloheptan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cycloheptan-1-one is sourced from PubChem (CID 13140470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).