hex-5-en-3-ol

C12H24O2 — CID 158321330

IUPAChex-5-en-3-ol
SMILESC=CCC(O)CC.C=CCC(O)CC
InChIInChI=1S/2C6H12O/c2*1-3-5-6(7)4-2/h2*3,6-7H,1,4-5H2,2H3
InChIKeyGOWRPGIQZLNDCY-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.67
Rot. Bonds6

About hex-5-en-3-ol

hex-5-en-3-ol (PubChem CID 158321330) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is hex-5-en-3-ol.

Molecular Properties

Compound Namehex-5-en-3-ol
PubChem CID158321330
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namehex-5-en-3-ol
SMILESC=CCC(O)CC.C=CCC(O)CC
InChIInChI=1S/2C6H12O/c2*1-3-5-6(7)4-2/h2*3,6-7H,1,4-5H2,2H3
InChIKeyGOWRPGIQZLNDCY-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-5-en-3-ol?
The IUPAC name of hex-5-en-3-ol (CID 158321330) is hex-5-en-3-ol.
What is the SMILES notation for hex-5-en-3-ol?
The canonical SMILES for hex-5-en-3-ol is C=CCC(O)CC.C=CCC(O)CC.
What is the InChIKey of hex-5-en-3-ol?
The InChIKey is GOWRPGIQZLNDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O/c2*1-3-5-6(7)4-2/h2*3,6-7H,1,4-5H2,2H3.
What are the key properties of hex-5-en-3-ol?
hex-5-en-3-ol has a molecular weight of 200.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-3-ol is sourced from PubChem (CID 158321330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).