4-butylcyclopent-2-en-1-ol

C9H16O — CID 13414982

IUPAC4-butylcyclopent-2-en-1-ol
SMILESCCCCC1C=CC(O)C1
InChIInChI=1S/C9H16O/c1-2-3-4-8-5-6-9(10)7-8/h5-6,8-10H,2-4,7H2,1H3
InChIKeyQELOUGGDDANVNK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds3

About 4-butylcyclopent-2-en-1-ol

4-butylcyclopent-2-en-1-ol (PubChem CID 13414982) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-butylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-butylcyclopent-2-en-1-ol
PubChem CID13414982
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-butylcyclopent-2-en-1-ol
SMILESCCCCC1C=CC(O)C1
InChIInChI=1S/C9H16O/c1-2-3-4-8-5-6-9(10)7-8/h5-6,8-10H,2-4,7H2,1H3
InChIKeyQELOUGGDDANVNK-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
4-(hydroxymethyl)cyclopent-2-en-1-ol
CID 14020426
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
5-butylcyclohex-3-ene-1,2-dicarboxylic acid
CID 23284162
(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol
CID 10947384
4,5-dipropylcyclohex-2-en-1-ol
CID 101312145
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile
CID 14247307
4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol
CID 10921128
(3R,6R)-3-butyl-6-propan-2-ylcyclohexene
CID 134980760
3-decylcyclobutene
CID 174421846

Frequently Asked Questions

What is the IUPAC name of 4-butylcyclopent-2-en-1-ol?
The IUPAC name of 4-butylcyclopent-2-en-1-ol (CID 13414982) is 4-butylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-butylcyclopent-2-en-1-ol?
The canonical SMILES for 4-butylcyclopent-2-en-1-ol is CCCCC1C=CC(O)C1.
What is the InChIKey of 4-butylcyclopent-2-en-1-ol?
The InChIKey is QELOUGGDDANVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-8-5-6-9(10)7-8/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 4-butylcyclopent-2-en-1-ol?
4-butylcyclopent-2-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylcyclopent-2-en-1-ol is sourced from PubChem (CID 13414982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).