(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane

C20H32O — CID 144550356

IUPAC(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane
SMILESCC.CC1=C(/C=C/C(C)=C/C=C\C(C)=C\O)C(C)CCC1
InChIInChI=1S/C18H26O.C2H6/c1-14(7-5-8-15(2)13-19)11-12-18-16(3)9-6-10-17(18)4;1-2/h5,7-8,11-13,16,19H,6,9-10H2,1-4H3;1-2H3/b8-5-,12-11+,14-7+,15-13+;
InChIKeyHYWBYYMJYRYXQQ-DEMPBENZSA-N
MW288.48 g/mol
LogP6.67
Rot. Bonds4

About (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane

(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane (PubChem CID 144550356) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane.

Molecular Properties

Compound Name(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane
PubChem CID144550356
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane
SMILESCC.CC1=C(/C=C/C(C)=C/C=C\C(C)=C\O)C(C)CCC1
InChIInChI=1S/C18H26O.C2H6/c1-14(7-5-8-15(2)13-19)11-12-18-16(3)9-6-10-17(18)4;1-2/h5,7-8,11-13,16,19H,6,9-10H2,1-4H3;1-2H3/b8-5-,12-11+,14-7+,15-13+;
InChIKeyHYWBYYMJYRYXQQ-DEMPBENZSA-N
XLogP6.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.67
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'}

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Related Compounds

(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
CID 143520371
2-[(1E,3E,5E,7E)-9-methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3-dimethylcyclohexene
CID 143095124
(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
CID 142351999
(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one
CID 143095132
(13E,15E,17E,19E)-20-(2,6-dimethylcyclohexen-1-yl)-14,18-dimethylicosa-13,15,17,19-tetraen-10-one
CID 143095107
(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol
CID 102040376
1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene
CID 170619792
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;ethane
CID 142018580
1,3,3-trimethyl-2-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 54612003
2-[(1E,3E,5E,7E)-8-cyclopropyl-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 170602364
2-[(7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 173264184
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16,20-pentamethylhenicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]cyclohexene
CID 100983894

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane?
The IUPAC name of (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane (CID 144550356) is (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane.
What is the SMILES notation for (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane?
The canonical SMILES for (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane is CC.CC1=C(/C=C/C(C)=C/C=C\C(C)=C\O)C(C)CCC1.
What is the InChIKey of (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane?
The InChIKey is HYWBYYMJYRYXQQ-DEMPBENZSA-N. The full InChI is InChI=1S/C18H26O.C2H6/c1-14(7-5-8-15(2)13-19)11-12-18-16(3)9-6-10-17(18)4;1-2/h5,7-8,11-13,16,19H,6,9-10H2,1-4H3;1-2H3/b8-5-,12-11+,14-7+,15-13+;.
What are the key properties of (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane?
(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane has a molecular weight of 288.48 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane is sourced from PubChem (CID 144550356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).