4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol

C14H24O2 — CID 101386227

IUPAC4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol
SMILESCC(O)CCC1=CCC=C(CCC(C)O)C1
InChIInChI=1S/C14H24O2/c1-11(15)6-8-13-4-3-5-14(10-13)9-7-12(2)16/h4-5,11-12,15-16H,3,6-10H2,1-2H3
InChIKeyKQZRVPQFNLTUDC-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.95
Rot. Bonds6

About 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol

4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol (PubChem CID 101386227) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol
PubChem CID101386227
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol
SMILESCC(O)CCC1=CCC=C(CCC(C)O)C1
InChIInChI=1S/C14H24O2/c1-11(15)6-8-13-4-3-5-14(10-13)9-7-12(2)16/h4-5,11-12,15-16H,3,6-10H2,1-2H3
InChIKeyKQZRVPQFNLTUDC-UHFFFAOYSA-N
XLogP2.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyldec-3-en-5-ol
CID 6441135
2-(Cyclohex-1-en-1-yl)ethan-1-ol
CID 227351
4-Methyl-3-decen-5-ol
CID 163336
5,9-Dimethyl-8-decen-3-ol
CID 89186
(E)-tetracos-20-ene-1,18-diol
CID 131752970
cis-Piperitenol
CID 6429050
Streptenol B
CID 15675440
(Z)-9-Octadecene-1,12-diol
CID 5354389
8-Hydroxy geraniol
CID 6430784
(2S,10E)-10-Tridecen-2-ol
CID 45101655
Ricinoleyl alcohol
CID 25054339
6Z-Heneicosen-11-ol
CID 13883615

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol?
The IUPAC name of 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol (CID 101386227) is 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol.
What is the SMILES notation for 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol?
The canonical SMILES for 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol is CC(O)CCC1=CCC=C(CCC(C)O)C1.
What is the InChIKey of 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol?
The InChIKey is KQZRVPQFNLTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(15)6-8-13-4-3-5-14(10-13)9-7-12(2)16/h4-5,11-12,15-16H,3,6-10H2,1-2H3.
What are the key properties of 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol?
4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol has a molecular weight of 224.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol is sourced from PubChem (CID 101386227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).