1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene

C19H30 — CID 83941472

IUPAC1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene
SMILESCC/C=C\CC(CCC)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H30/c1-7-9-10-12-18(11-8-2)19-16(5)14(3)13-15(4)17(19)6/h9-10,13,18H,7-8,11-12H2,1-6H3/b10-9-
InChIKeyPKCFKRHAARCMKB-KTKRTIGZSA-N
MW258.45 g/mol
LogP6.16
Rot. Bonds6

About 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene

1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene (PubChem CID 83941472) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene
PubChem CID83941472
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene
SMILESCC/C=C\CC(CCC)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H30/c1-7-9-10-12-18(11-8-2)19-16(5)14(3)13-15(4)17(19)6/h9-10,13,18H,7-8,11-12H2,1-6H3/b10-9-
InChIKeyPKCFKRHAARCMKB-KTKRTIGZSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-non-6-en-4-yl]aniline
CID 112718062
1-methylsulfonyl-4-[(Z)-non-6-en-4-yl]benzene
CID 83926368
2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene
CID 83937295
1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
CID 83928970
1,4-dimethoxy-2-[(Z)-non-6-en-4-yl]benzene
CID 83938271
6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922299
1-tert-butyl-2-methoxy-5-methyl-3-[(Z)-non-6-en-4-yl]benzene
CID 83942988
6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922545
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene
CID 83940652
1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene
CID 83926755
4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene
CID 83935649
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene?
The IUPAC name of 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene (CID 83941472) is 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene is CC/C=C\CC(CCC)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene?
The InChIKey is PKCFKRHAARCMKB-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H30/c1-7-9-10-12-18(11-8-2)19-16(5)14(3)13-15(4)17(19)6/h9-10,13,18H,7-8,11-12H2,1-6H3/b10-9-.
What are the key properties of 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene?
1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene has a molecular weight of 258.45 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene is sourced from PubChem (CID 83941472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).