1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene

C21H32 — CID 101359840

IUPAC1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene
SMILESC=C(CC/C(C)=C/CCC(C)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C21H32/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11-12,14-16,20H,5,7,9-10,13H2,1-4,6H3/b17-8+
InChIKeyUBBKTKSNNRMAPA-CAOOACKPSA-N
MW284.49 g/mol
LogP6.82
Rot. Bonds8

About 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene

1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene (PubChem CID 101359840) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene
PubChem CID101359840
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene
SMILESC=C(CC/C(C)=C/CCC(C)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C21H32/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11-12,14-16,20H,5,7,9-10,13H2,1-4,6H3/b17-8+
InChIKeyUBBKTKSNNRMAPA-CAOOACKPSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.82
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-[(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
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
CID 160825618
1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene
CID 163001074
(6R)-2-methyl-6-(4-methylphenyl)hept-2-enoic acid
CID 163018882
[(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
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
(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one
CID 140821196
1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene
CID 131752566
4-[(2S)-6-methylhept-5-en-2-yl]benzaldehyde
CID 102063199

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene (CID 101359840) is 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene is C=C(CC/C(C)=C/CCC(C)c1ccc(C)cc1)C(C)C.
What is the InChIKey of 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene?
The InChIKey is UBBKTKSNNRMAPA-CAOOACKPSA-N. The full InChI is InChI=1S/C21H32/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11-12,14-16,20H,5,7,9-10,13H2,1-4,6H3/b17-8+.
What are the key properties of 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene?
1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene has a molecular weight of 284.49 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene is sourced from PubChem (CID 101359840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).