hex-2-en-1-ol

C6H12O — CID 13577

IUPAChex-2-en-1-ol
SMILESCCCC=CCO
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyZCHHRLHTBGRGOT-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.34
Rot. Bonds3

About hex-2-en-1-ol

hex-2-en-1-ol (PubChem CID 13577) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is hex-2-en-1-ol.

Molecular Properties

Compound Namehex-2-en-1-ol
PubChem CID13577
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Namehex-2-en-1-ol
SMILESCCCC=CCO
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyZCHHRLHTBGRGOT-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2-en-1-ol?
The IUPAC name of hex-2-en-1-ol (CID 13577) is hex-2-en-1-ol.
What is the SMILES notation for hex-2-en-1-ol?
The canonical SMILES for hex-2-en-1-ol is CCCC=CCO.
What is the InChIKey of hex-2-en-1-ol?
The InChIKey is ZCHHRLHTBGRGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of hex-2-en-1-ol?
hex-2-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-en-1-ol is sourced from PubChem (CID 13577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).