(2Z)-hexa-2,5-dien-2-ol

C6H10O — CID 102117953

IUPAC(2Z)-hexa-2,5-dien-2-ol
SMILESC=CC/C=C(/C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h3,5,7H,1,4H2,2H3/b6-5-
InChIKeySUIOKFHQIHSTDF-WAYWQWQTSA-N
MW98.14 g/mol
LogP2.02
Rot. Bonds2

About (2Z)-hexa-2,5-dien-2-ol

(2Z)-hexa-2,5-dien-2-ol (PubChem CID 102117953) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (2Z)-hexa-2,5-dien-2-ol.

Molecular Properties

Compound Name(2Z)-hexa-2,5-dien-2-ol
PubChem CID102117953
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(2Z)-hexa-2,5-dien-2-ol
SMILESC=CC/C=C(/C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h3,5,7H,1,4H2,2H3/b6-5-
InChIKeySUIOKFHQIHSTDF-WAYWQWQTSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z)-hexa-2,5-dien-2-ol?
The IUPAC name of (2Z)-hexa-2,5-dien-2-ol (CID 102117953) is (2Z)-hexa-2,5-dien-2-ol.
What is the SMILES notation for (2Z)-hexa-2,5-dien-2-ol?
The canonical SMILES for (2Z)-hexa-2,5-dien-2-ol is C=CC/C=C(/C)O.
What is the InChIKey of (2Z)-hexa-2,5-dien-2-ol?
The InChIKey is SUIOKFHQIHSTDF-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3,5,7H,1,4H2,2H3/b6-5-.
What are the key properties of (2Z)-hexa-2,5-dien-2-ol?
(2Z)-hexa-2,5-dien-2-ol has a molecular weight of 98.14 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-hexa-2,5-dien-2-ol is sourced from PubChem (CID 102117953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).