(4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol

C19H30O2 — CID 11150459

IUPAC(4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol
SMILESCC1=C(/C=C/C(C)=C/C=C/C(O)CCO)C(C)(C)CCC1
InChIInChI=1S/C19H30O2/c1-15(7-5-9-17(21)12-14-20)10-11-18-16(2)8-6-13-19(18,3)4/h5,7,9-11,17,20-21H,6,8,12-14H2,1-4H3/b9-5+,11-10+,15-7+
InChIKeyFRYZYHSOBQPDTL-PBEPTZCYSA-N
MW290.45 g/mol
LogP4.32
Rot. Bonds6

About (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol

(4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol (PubChem CID 11150459) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol.

Molecular Properties

Compound Name(4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol
PubChem CID11150459
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol
SMILESCC1=C(/C=C/C(C)=C/C=C/C(O)CCO)C(C)(C)CCC1
InChIInChI=1S/C19H30O2/c1-15(7-5-9-17(21)12-14-20)10-11-18-16(2)8-6-13-19(18,3)4/h5,7,9-11,17,20-21H,6,8,12-14H2,1-4H3/b9-5+,11-10+,15-7+
InChIKeyFRYZYHSOBQPDTL-PBEPTZCYSA-N
XLogP4.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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,5Z)-3,7-dimethylnona-1,3,5-trienyl]-1,3,3-trimethylcyclohexene
CID 58372019
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
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,7,8,12-tetramethyl-14-(2,6,6-trimethylcyclohexen-1-yl)tetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohexene
CID 102148044
(4E,6E,8E,10E)-1-hydroxy-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-4,6,8,10-tetraen-3-one
CID 21018382
(2Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 87243014
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 5354043
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
(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoyl chloride
CID 89234126
(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-1-ol
CID 5280991

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol?
The IUPAC name of (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol (CID 11150459) is (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol.
What is the SMILES notation for (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol?
The canonical SMILES for (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol is CC1=C(/C=C/C(C)=C/C=C/C(O)CCO)C(C)(C)CCC1.
What is the InChIKey of (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol?
The InChIKey is FRYZYHSOBQPDTL-PBEPTZCYSA-N. The full InChI is InChI=1S/C19H30O2/c1-15(7-5-9-17(21)12-14-20)10-11-18-16(2)8-6-13-19(18,3)4/h5,7,9-11,17,20-21H,6,8,12-14H2,1-4H3/b9-5+,11-10+,15-7+.
What are the key properties of (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol?
(4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol has a molecular weight of 290.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,3-diol is sourced from PubChem (CID 11150459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).