1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene

C20H30 — CID 131752566

IUPAC1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene
SMILESC=C(C/C=C/C(C)C)CCCC(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/h6,8,12-16,19H,3,7,9-11H2,1-2,4-5H3/b8-6+
InChIKeyKVCMFLFVCBKBMA-SOFGYWHQSA-N
MW270.46 g/mol
LogP6.43
Rot. Bonds8

About 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene

1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene (PubChem CID 131752566) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene
PubChem CID131752566
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene
SMILESC=C(C/C=C/C(C)C)CCCC(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/h6,8,12-16,19H,3,7,9-11H2,1-2,4-5H3/b8-6+
InChIKeyKVCMFLFVCBKBMA-SOFGYWHQSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.43
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-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene
CID 101359840
ethane;3-methylidene-4-propylheptane;1-methyl-4-pentan-2-ylbenzene
CID 177061085
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
CID 160825618
1-decan-3-yl-4-methylbenzene;formaldehyde;methanol;1-methyl-4-octan-2-ylbenzene;1-methyl-4-undecan-4-ylbenzene
CID 159351496
1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
CID 162899146
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
1-methyl-4-[3-(4-methylphenyl)butylsulfanyl]benzene
CID 146617256
(3Z,5E)-7-ethenyl-4,5,6-trimethyl-13-methylidene-15-(4-methylphenyl)hexadeca-1,3,5-triene-2-thiol
CID 170199190
1-butan-2-yl-4-methylbenzene;formaldehyde;heptane
CID 142152659
2-(diethoxymethyl)-6-(4-methylphenyl)hept-1-en-3-ol
CID 165354603
6-(4-methoxyphenyl)heptan-2-one
CID 101408915

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene (CID 131752566) is 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene is C=C(C/C=C/C(C)C)CCCC(C)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene?
The InChIKey is KVCMFLFVCBKBMA-SOFGYWHQSA-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/h6,8,12-16,19H,3,7,9-11H2,1-2,4-5H3/b8-6+.
What are the key properties of 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene?
1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene has a molecular weight of 270.46 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene is sourced from PubChem (CID 131752566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).