acetic acid;2-methylcyclopentan-1-ol

C8H16O3 — CID 71356720

IUPACacetic acid;2-methylcyclopentan-1-ol
SMILESCC(=O)O.CC1CCCC1O
InChIInChI=1S/C6H12O.C2H4O2/c1-5-3-2-4-6(5)7;1-2(3)4/h5-7H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyRSWSXJPQDQFRIU-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds

About acetic acid;2-methylcyclopentan-1-ol

acetic acid;2-methylcyclopentan-1-ol (PubChem CID 71356720) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is acetic acid;2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nameacetic acid;2-methylcyclopentan-1-ol
PubChem CID71356720
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameacetic acid;2-methylcyclopentan-1-ol
SMILESCC(=O)O.CC1CCCC1O
InChIInChI=1S/C6H12O.C2H4O2/c1-5-3-2-4-6(5)7;1-2(3)4/h5-7H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyRSWSXJPQDQFRIU-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
2-methylcyclododecan-1-ol
CID 13130078
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
trans-(1R,2R)-2-methylcyclohexan-1-ol;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 91351531
(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
CID 90137025
2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol
CID 144511692
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid
CID 139926893
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methylcyclopentan-1-ol?
The IUPAC name of acetic acid;2-methylcyclopentan-1-ol (CID 71356720) is acetic acid;2-methylcyclopentan-1-ol.
What is the SMILES notation for acetic acid;2-methylcyclopentan-1-ol?
The canonical SMILES for acetic acid;2-methylcyclopentan-1-ol is CC(=O)O.CC1CCCC1O.
What is the InChIKey of acetic acid;2-methylcyclopentan-1-ol?
The InChIKey is RSWSXJPQDQFRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H4O2/c1-5-3-2-4-6(5)7;1-2(3)4/h5-7H,2-4H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methylcyclopentan-1-ol?
acetic acid;2-methylcyclopentan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methylcyclopentan-1-ol is sourced from PubChem (CID 71356720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).