(E)-hex-1-en-1-ol

C6H12O — CID 11320910

IUPAC(E)-hex-1-en-1-ol
SMILESCCCC/C=C/O
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+
InChIKeyJHEPBQHNVNUAFL-AATRIKPKSA-N
MW100.16 g/mol
LogP2.25
Rot. Bonds3

About (E)-hex-1-en-1-ol

(E)-hex-1-en-1-ol (PubChem CID 11320910) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-hex-1-en-1-ol.

Molecular Properties

Compound Name(E)-hex-1-en-1-ol
PubChem CID11320910
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(E)-hex-1-en-1-ol
SMILESCCCC/C=C/O
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+
InChIKeyJHEPBQHNVNUAFL-AATRIKPKSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-hex-1-en-1-ol?
The IUPAC name of (E)-hex-1-en-1-ol (CID 11320910) is (E)-hex-1-en-1-ol.
What is the SMILES notation for (E)-hex-1-en-1-ol?
The canonical SMILES for (E)-hex-1-en-1-ol is CCCC/C=C/O.
What is the InChIKey of (E)-hex-1-en-1-ol?
The InChIKey is JHEPBQHNVNUAFL-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-hex-1-en-1-ol?
(E)-hex-1-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-1-en-1-ol is sourced from PubChem (CID 11320910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).