3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol

C20H30O — CID 87891406

IUPAC3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol
SMILESCC=C(C)C=C(O)C=C(C)C=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C20H30O/c1-7-15(2)13-18(21)14-16(3)10-11-19-17(4)9-8-12-20(19,5)6/h7,10-11,13-14,21H,8-9,12H2,1-6H3
InChIKeyQILVJNQDGIXWKZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.42
Rot. Bonds4

About 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol

3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol (PubChem CID 87891406) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol
PubChem CID87891406
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol
SMILESCC=C(C)C=C(O)C=C(C)C=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C20H30O/c1-7-15(2)13-18(21)14-16(3)10-11-19-17(4)9-8-12-20(19,5)6/h7,10-11,13-14,21H,8-9,12H2,1-6H3
InChIKeyQILVJNQDGIXWKZ-UHFFFAOYSA-N
XLogP6.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.42
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 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol with MolForge

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Related Compounds

2-[(7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 173264184
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 14991237
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;ethane
CID 142018580
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;hydron
CID 87908258
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5-tritionona-2,4,6,8-tetraenoic acid
CID 6913160
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;methanol
CID 175522438
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;platinum
CID 87812938
sodium;(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;hydride
CID 174585390
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)(1,2-13C2)penta-2,4-dien-1-ol
CID 10609084
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
(4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 148810051

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol?
The IUPAC name of 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol (CID 87891406) is 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol.
What is the SMILES notation for 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol?
The canonical SMILES for 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol is CC=C(C)C=C(O)C=C(C)C=CC1=C(C)CCCC1(C)C.
What is the InChIKey of 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol?
The InChIKey is QILVJNQDGIXWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-7-15(2)13-18(21)14-16(3)10-11-19-17(4)9-8-12-20(19,5)6/h7,10-11,13-14,21H,8-9,12H2,1-6H3.
What are the key properties of 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol?
3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol has a molecular weight of 286.46 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol is sourced from PubChem (CID 87891406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).