(5E,7E)-dodeca-2,5,7-trien-4-ol

C12H20O — CID 86643741

IUPAC(5E,7E)-dodeca-2,5,7-trien-4-ol
SMILESCC=CC(O)/C=C/C=C/CCCC
InChIInChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h4,7-13H,3,5-6H2,1-2H3/b8-7+,10-4?,11-9+
InChIKeyDTIZHBFYKPOYSW-JNYJAWLCSA-N
MW180.29 g/mol
LogP3.23
Rot. Bonds6

About (5E,7E)-dodeca-2,5,7-trien-4-ol

(5E,7E)-dodeca-2,5,7-trien-4-ol (PubChem CID 86643741) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (5E,7E)-dodeca-2,5,7-trien-4-ol.

Molecular Properties

Compound Name(5E,7E)-dodeca-2,5,7-trien-4-ol
PubChem CID86643741
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(5E,7E)-dodeca-2,5,7-trien-4-ol
SMILESCC=CC(O)/C=C/C=C/CCCC
InChIInChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h4,7-13H,3,5-6H2,1-2H3/b8-7+,10-4?,11-9+
InChIKeyDTIZHBFYKPOYSW-JNYJAWLCSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54117998
henicosa-2,4,6,8,10-pentaene-1,1-diol
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3-(1,2-dihydroxyundeca-4,6-dien-3-yloxy)undeca-4,6-diene-1,2-diol
CID 88501623
(E)-hept-2-ene-1,1-diol
CID 87660901
(1E)-octa-1,3-dien-1-ol
CID 154003406
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(5E,7E)-hexadeca-5,7-diene
CID 13032294
hept-2-ene;methanol
CID 135236025
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
2-methylhexadeca-3,5-diene
CID 140995829

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-dodeca-2,5,7-trien-4-ol?
The IUPAC name of (5E,7E)-dodeca-2,5,7-trien-4-ol (CID 86643741) is (5E,7E)-dodeca-2,5,7-trien-4-ol.
What is the SMILES notation for (5E,7E)-dodeca-2,5,7-trien-4-ol?
The canonical SMILES for (5E,7E)-dodeca-2,5,7-trien-4-ol is CC=CC(O)/C=C/C=C/CCCC.
What is the InChIKey of (5E,7E)-dodeca-2,5,7-trien-4-ol?
The InChIKey is DTIZHBFYKPOYSW-JNYJAWLCSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h4,7-13H,3,5-6H2,1-2H3/b8-7+,10-4?,11-9+.
What are the key properties of (5E,7E)-dodeca-2,5,7-trien-4-ol?
(5E,7E)-dodeca-2,5,7-trien-4-ol has a molecular weight of 180.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-dodeca-2,5,7-trien-4-ol is sourced from PubChem (CID 86643741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).