1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene

C20H30 — CID 162899146

IUPAC1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
SMILESCC(C)=CCCC(C)=CCC[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12-15,19H,6-7,9,11H2,1-5H3/t19-/m0/s1
InChIKeyIYQVATJMGUYOMV-IBGZPJMESA-N
MW270.46 g/mol
LogP6.57
Rot. Bonds7

About 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene

1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene (PubChem CID 162899146) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
PubChem CID162899146
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
SMILESCC(C)=CCCC(C)=CCC[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12-15,19H,6-7,9,11H2,1-5H3/t19-/m0/s1
InChIKeyIYQVATJMGUYOMV-IBGZPJMESA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.57
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

1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]benzene
CID 139586981
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
CID 160825618
1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene
CID 101359840
1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
CID 101222163
(6R)-2-methyl-6-(4-methylphenyl)hept-2-enoic acid
CID 163018882
4-[(2S)-6-methylhept-5-en-2-yl]benzaldehyde
CID 102063199
1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone
CID 155128526
[(6S)-2-methyl-6-(4-methylphenyl)hept-2-enyl] (2R)-2-methylbutanoate
CID 162964299
methyl (6R)-2-methyl-6-(4-methylphenyl)hept-2-enoate
CID 163026568
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylaniline
CID 173081680
1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 176697380
(2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol
CID 67580271

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene (CID 162899146) is 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene is CC(C)=CCCC(C)=CCC[C@H](C)c1ccc(C)cc1.
What is the InChIKey of 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene?
The InChIKey is IYQVATJMGUYOMV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12-15,19H,6-7,9,11H2,1-5H3/t19-/m0/s1.
What are the key properties of 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene?
1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene has a molecular weight of 270.46 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene is sourced from PubChem (CID 162899146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).