hexa-3,5-dien-1-ol

C6H10O — CID 548851

IUPAChexa-3,5-dien-1-ol
SMILESC=CC=CCCO
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-4,7H,1,5-6H2
InChIKeySAXBDVYNGGCITG-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.11
Rot. Bonds3

About hexa-3,5-dien-1-ol

hexa-3,5-dien-1-ol (PubChem CID 548851) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is hexa-3,5-dien-1-ol.

Molecular Properties

Compound Namehexa-3,5-dien-1-ol
PubChem CID548851
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namehexa-3,5-dien-1-ol
SMILESC=CC=CCCO
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-4,7H,1,5-6H2
InChIKeySAXBDVYNGGCITG-UHFFFAOYSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexa-3,5-dien-1-ol?
The IUPAC name of hexa-3,5-dien-1-ol (CID 548851) is hexa-3,5-dien-1-ol.
What is the SMILES notation for hexa-3,5-dien-1-ol?
The canonical SMILES for hexa-3,5-dien-1-ol is C=CC=CCCO.
What is the InChIKey of hexa-3,5-dien-1-ol?
The InChIKey is SAXBDVYNGGCITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-4,7H,1,5-6H2.
What are the key properties of hexa-3,5-dien-1-ol?
hexa-3,5-dien-1-ol has a molecular weight of 98.14 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-3,5-dien-1-ol is sourced from PubChem (CID 548851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).