(3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol

C12H18O — CID 89135352

IUPAC(3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol
SMILESC=C(O)/C=C/C=C/CC/C=C\CC
InChIInChI=1S/C12H18O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,8-11,13H,2-3,6-7H2,1H3/b5-4-,9-8+,11-10+
InChIKeyYIMULRFLXHOYSN-QYHQRLDKSA-N
MW178.27 g/mol
LogP3.92
Rot. Bonds6

About (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol

(3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol (PubChem CID 89135352) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol.

Molecular Properties

Compound Name(3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol
PubChem CID89135352
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol
SMILESC=C(O)/C=C/C=C/CC/C=C\CC
InChIInChI=1S/C12H18O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,8-11,13H,2-3,6-7H2,1H3/b5-4-,9-8+,11-10+
InChIKeyYIMULRFLXHOYSN-QYHQRLDKSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.92
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol with MolForge

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Related Compounds

(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene
CID 89135344
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
docosa-2,4,7,9,13,16,19-heptaenoic acid
CID 173077864
(10Z,13Z,16Z,19Z)-docosa-2,4,6,10,13,16,19-heptaenoic acid
CID 87987509
hexadeca-2,4,13-trienoic acid
CID 173094615
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
CID 143275541
ethyl (2E,4E,8Z,11Z,14Z,17Z)-icosa-2,4,8,11,14,17-hexaenoate
CID 25010677
docosa-4,8,10,13,16,19-hexaenoic acid
CID 91377842
(2E)-nona-2,6-dienal
CID 6992048
pentadeca-3,5,7,12-tetraene
CID 142697862

Frequently Asked Questions

What is the IUPAC name of (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol?
The IUPAC name of (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol (CID 89135352) is (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol.
What is the SMILES notation for (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol?
The canonical SMILES for (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol is C=C(O)/C=C/C=C/CC/C=C\CC.
What is the InChIKey of (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol?
The InChIKey is YIMULRFLXHOYSN-QYHQRLDKSA-N. The full InChI is InChI=1S/C12H18O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,8-11,13H,2-3,6-7H2,1H3/b5-4-,9-8+,11-10+.
What are the key properties of (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol?
(3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol has a molecular weight of 178.27 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol is sourced from PubChem (CID 89135352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).