acetic acid;2-pentylcyclopentan-1-ol

C12H24O3 — CID 71231001

IUPACacetic acid;2-pentylcyclopentan-1-ol
SMILESCC(=O)O.CCCCCC1CCCC1O
InChIInChI=1S/C10H20O.C2H4O2/c1-2-3-4-6-9-7-5-8-10(9)11;1-2(3)4/h9-11H,2-8H2,1H3;1H3,(H,3,4)
InChIKeyGOWNUBPZRKIVCS-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.82
Rot. Bonds4

About acetic acid;2-pentylcyclopentan-1-ol

acetic acid;2-pentylcyclopentan-1-ol (PubChem CID 71231001) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is acetic acid;2-pentylcyclopentan-1-ol.

Molecular Properties

Compound Nameacetic acid;2-pentylcyclopentan-1-ol
PubChem CID71231001
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameacetic acid;2-pentylcyclopentan-1-ol
SMILESCC(=O)O.CCCCCC1CCCC1O
InChIInChI=1S/C10H20O.C2H4O2/c1-2-3-4-6-9-7-5-8-10(9)11;1-2(3)4/h9-11H,2-8H2,1H3;1H3,(H,3,4)
InChIKeyGOWNUBPZRKIVCS-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
ethyl formate;2-hexylcyclopentan-1-ol
CID 161366289
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
[(1R,2S,6S)-2-butyl-6-hydroxycyclohexyl] acetate
CID 10420794
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
1-pentyl-2-propylcyclopentane
CID 549948
(1R)-2-propylcyclohexan-1-ol
CID 144627240
10-(2-butylcyclopentyl)decan-2-one
CID 71171350

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-pentylcyclopentan-1-ol?
The IUPAC name of acetic acid;2-pentylcyclopentan-1-ol (CID 71231001) is acetic acid;2-pentylcyclopentan-1-ol.
What is the SMILES notation for acetic acid;2-pentylcyclopentan-1-ol?
The canonical SMILES for acetic acid;2-pentylcyclopentan-1-ol is CC(=O)O.CCCCCC1CCCC1O.
What is the InChIKey of acetic acid;2-pentylcyclopentan-1-ol?
The InChIKey is GOWNUBPZRKIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C2H4O2/c1-2-3-4-6-9-7-5-8-10(9)11;1-2(3)4/h9-11H,2-8H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-pentylcyclopentan-1-ol?
acetic acid;2-pentylcyclopentan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-pentylcyclopentan-1-ol is sourced from PubChem (CID 71231001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).