CID 58391632

C9H17O2 — CID 58391632

IUPAC—
SMILESC[CH]OC1CCC(C)CC1O
InChIInChI=1S/C9H17O2/c1-3-11-9-5-4-7(2)6-8(9)10/h3,7-10H,4-6H2,1-2H3
InChIKeyBAOBHUMLPSRIMF-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.73
Rot. Bonds2

About CID 58391632

CID 58391632 (PubChem CID 58391632) has the molecular formula C9H17O2 and a molecular weight of 157.23 g/mol.

Molecular Properties

Compound NameCID 58391632
PubChem CID58391632
Molecular FormulaC9H17O2
Molecular Weight157.23 g/mol
Exact Mass157.12
IUPAC Name—
SMILESC[CH]OC1CCC(C)CC1O
InChIInChI=1S/C9H17O2/c1-3-11-9-5-4-7(2)6-8(9)10/h3,7-10H,4-6H2,1-2H3
InChIKeyBAOBHUMLPSRIMF-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methylcyclohexan-1-ol
CID 89088193
(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol
CID 126641319
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
1-[(1R,2S,4R)-2-hydroxy-4-methylcyclohexyl]ethanone
CID 59752307
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
2-ethenyl-5-methylcyclohexan-1-ol
CID 58534305
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287

Frequently Asked Questions

What is the IUPAC name of CID 58391632?
The IUPAC name of CID 58391632 (CID 58391632) is not available.
What is the SMILES notation for CID 58391632?
The canonical SMILES for CID 58391632 is C[CH]OC1CCC(C)CC1O.
What is the InChIKey of CID 58391632?
The InChIKey is BAOBHUMLPSRIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2/c1-3-11-9-5-4-7(2)6-8(9)10/h3,7-10H,4-6H2,1-2H3.
What are the key properties of CID 58391632?
CID 58391632 has a molecular weight of 157.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58391632 is sourced from PubChem (CID 58391632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).