(2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid

C19H24O2 — CID 102164793

IUPAC(2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILESCC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=C[C@]2(C)C[C@@H]2[C@H]1C
InChIInChI=1S/C19H24O2/c1-13(6-5-7-14(2)10-18(20)21)8-9-16-11-19(4)12-17(19)15(16)3/h5-11,15,17H,12H2,1-4H3,(H,20,21)/b7-5+,9-8+,13-6-,14-10+/t15-,17+,19+/m0/s1
InChIKeyWBQZNCZJALIDSG-DHVCJQAHSA-N
MW284.40 g/mol
LogP4.68
Rot. Bonds5

About (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid

(2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid (PubChem CID 102164793) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
PubChem CID102164793
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILESCC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=C[C@]2(C)C[C@@H]2[C@H]1C
InChIInChI=1S/C19H24O2/c1-13(6-5-7-14(2)10-18(20)21)8-9-16-11-19(4)12-17(19)15(16)3/h5-11,15,17H,12H2,1-4H3,(H,20,21)/b7-5+,9-8+,13-6-,14-10+/t15-,17+,19+/m0/s1
InChIKeyWBQZNCZJALIDSG-DHVCJQAHSA-N
XLogP4.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid with MolForge

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Related Compounds

(2Z,4E,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 11109886
(2E)-3,7-dimethyl-9-(5-oxo-2-bicyclo[2.2.1]hept-2-enyl)nona-2,4,6,8-tetraenoic acid
CID 173419509
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;platinum
CID 87812938
3,7-dimethyl-9-(2,3,6-trimethylphenyl)nona-2,4,6,8-tetraenoic acid
CID 54291992
(2E,4E,6E,8E)-9-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 6506621
3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)nona-2,4,6,8-tetraenoic acid
CID 85049391
(2E,4E,6E,8E)-9-(3-acetyloxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 87662373
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;hydron
CID 87908258
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;methanol
CID 175522438
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,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 11406304
[(1R)-2-[(1E,3E,5E,7E)-8-carboxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3-dimethylcyclohex-2-en-1-yl]-dimethylazanium
CID 161084269

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
The IUPAC name of (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid (CID 102164793) is (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid.
What is the SMILES notation for (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
The canonical SMILES for (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid is CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=C[C@]2(C)C[C@@H]2[C@H]1C.
What is the InChIKey of (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
The InChIKey is WBQZNCZJALIDSG-DHVCJQAHSA-N. The full InChI is InChI=1S/C19H24O2/c1-13(6-5-7-14(2)10-18(20)21)8-9-16-11-19(4)12-17(19)15(16)3/h5-11,15,17H,12H2,1-4H3,(H,20,21)/b7-5+,9-8+,13-6-,14-10+/t15-,17+,19+/m0/s1.
What are the key properties of (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
(2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid has a molecular weight of 284.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 102164793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).