hexa-1,5-dien-2-ol

C6H10O — CID 71321875

IUPAChexa-1,5-dien-2-ol
SMILESC=CCCC(=C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h3,7H,1-2,4-5H2
InChIKeyUPTRQBZBTKBZQN-UHFFFAOYSA-N
MW98.14 g/mol
LogP2.02
Rot. Bonds3

About hexa-1,5-dien-2-ol

hexa-1,5-dien-2-ol (PubChem CID 71321875) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is hexa-1,5-dien-2-ol.

Molecular Properties

Compound Namehexa-1,5-dien-2-ol
PubChem CID71321875
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namehexa-1,5-dien-2-ol
SMILESC=CCCC(=C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h3,7H,1-2,4-5H2
InChIKeyUPTRQBZBTKBZQN-UHFFFAOYSA-N
XLogP2.02
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 ≤ 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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5-methylidenehept-1-ene
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N,N-diaminohexa-1,5-dien-2-amine
CID 171097369
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
(5Z)-hepta-1,5-dien-2-ol
CID 89297619
2-methyl-4-methylideneocta-1,7-diene
CID 140752999
5-methylhepta-1,5-diene
CID 54049787
3-methylidenehepta-1,6-dien-1-one
CID 15935645
4-aminonona-1,4,8-trien-5-ol
CID 173334614
hepta-1,6-diene-2-thiol
CID 150042707
(5E)-5-bromohepta-1,5-diene
CID 163878412
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CID 142997772

Frequently Asked Questions

What is the IUPAC name of hexa-1,5-dien-2-ol?
The IUPAC name of hexa-1,5-dien-2-ol (CID 71321875) is hexa-1,5-dien-2-ol.
What is the SMILES notation for hexa-1,5-dien-2-ol?
The canonical SMILES for hexa-1,5-dien-2-ol is C=CCCC(=C)O.
What is the InChIKey of hexa-1,5-dien-2-ol?
The InChIKey is UPTRQBZBTKBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3,7H,1-2,4-5H2.
What are the key properties of hexa-1,5-dien-2-ol?
hexa-1,5-dien-2-ol has a molecular weight of 98.14 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-dien-2-ol is sourced from PubChem (CID 71321875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).