(3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol

C18H26O — CID 130383294

IUPAC(3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)C1(/C(C=C)=C/C)CCCCC1
InChIInChI=1S/C18H26O/c1-5-16(6-2)18(13-9-8-10-14-18)15(4)11-12-17(19)7-3/h5-7,11-12,19H,1,3,8-10,13-14H2,2,4H3/b15-11+,16-6+,17-12+
InChIKeyMRLOVZKNCNCFNL-XHHGTZLQSA-N
MW258.41 g/mol
LogP5.64
Rot. Bonds5

About (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol

(3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol (PubChem CID 130383294) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol
PubChem CID130383294
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name(3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)C1(/C(C=C)=C/C)CCCCC1
InChIInChI=1S/C18H26O/c1-5-16(6-2)18(13-9-8-10-14-18)15(4)11-12-17(19)7-3/h5-7,11-12,19H,1,3,8-10,13-14H2,2,4H3/b15-11+,16-6+,17-12+
InChIKeyMRLOVZKNCNCFNL-XHHGTZLQSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol with MolForge

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Related Compounds

(3E,5E)-6-[1-(3,4-difluorophenyl)cyclohexyl]hepta-1,3,5-trien-3-ol
CID 143134262
(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
CID 88877979
(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol
CID 130246527
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]cyclohexane-1-carboxylic acid
CID 130335871
(3E,5E)-6-[1-[(3E,5E)-6-hydroxyocta-1,3,5,7-tetraen-3-yl]-3,3,5-trimethylcyclohexyl]octa-1,3,5,7-tetraen-3-ol
CID 155380161
N-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]cycloheptane-1-carboxamide
CID 146515958
1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 20575445
1-ethenoxycarbonylcyclodecane-1-carboxylic acid
CID 175549049
cyclohexane;cyclohexane-1,1-dicarboxylic acid;methanol
CID 67028840
(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol
CID 126727419
(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol
CID 144936918
1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine
CID 168970776

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol?
The IUPAC name of (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol (CID 130383294) is (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol.
What is the SMILES notation for (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol?
The canonical SMILES for (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol is C=C/C(O)=C\C=C(/C)C1(/C(C=C)=C/C)CCCCC1.
What is the InChIKey of (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol?
The InChIKey is MRLOVZKNCNCFNL-XHHGTZLQSA-N. The full InChI is InChI=1S/C18H26O/c1-5-16(6-2)18(13-9-8-10-14-18)15(4)11-12-17(19)7-3/h5-7,11-12,19H,1,3,8-10,13-14H2,2,4H3/b15-11+,16-6+,17-12+.
What are the key properties of (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol?
(3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol has a molecular weight of 258.41 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-[1-[(3E)-penta-1,3-dien-3-yl]cyclohexyl]hepta-1,3,5-trien-3-ol is sourced from PubChem (CID 130383294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).