3-hydroxy-2,2-dimethylcyclooctan-1-one

C10H18O2 — CID 86182604

IUPAC3-hydroxy-2,2-dimethylcyclooctan-1-one
SMILESCC1(C)C(=O)CCCCCC1O
InChIInChI=1S/C10H18O2/c1-10(2)8(11)6-4-3-5-7-9(10)12/h8,11H,3-7H2,1-2H3
InChIKeyDGCGAGUYDHLTST-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds

About 3-hydroxy-2,2-dimethylcyclooctan-1-one

3-hydroxy-2,2-dimethylcyclooctan-1-one (PubChem CID 86182604) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethylcyclooctan-1-one.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethylcyclooctan-1-one
PubChem CID86182604
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-hydroxy-2,2-dimethylcyclooctan-1-one
SMILESCC1(C)C(=O)CCCCCC1O
InChIInChI=1S/C10H18O2/c1-10(2)8(11)6-4-3-5-7-9(10)12/h8,11H,3-7H2,1-2H3
InChIKeyDGCGAGUYDHLTST-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
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(4R,5S)-4-hydroxyspiro[4.6]undecan-11-one
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trans-(2R,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
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trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
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CID 557637
3a-methyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethylcyclooctan-1-one?
The IUPAC name of 3-hydroxy-2,2-dimethylcyclooctan-1-one (CID 86182604) is 3-hydroxy-2,2-dimethylcyclooctan-1-one.
What is the SMILES notation for 3-hydroxy-2,2-dimethylcyclooctan-1-one?
The canonical SMILES for 3-hydroxy-2,2-dimethylcyclooctan-1-one is CC1(C)C(=O)CCCCCC1O.
What is the InChIKey of 3-hydroxy-2,2-dimethylcyclooctan-1-one?
The InChIKey is DGCGAGUYDHLTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2)8(11)6-4-3-5-7-9(10)12/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-hydroxy-2,2-dimethylcyclooctan-1-one?
3-hydroxy-2,2-dimethylcyclooctan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethylcyclooctan-1-one is sourced from PubChem (CID 86182604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).