1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene

C24H30 — CID 143279229

IUPAC1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene
SMILESC=C1CCCC(C)=C1C(C1=C(C)CCCC1=C)c1cccc(C)c1
InChIInChI=1S/C24H30/c1-16-9-6-14-21(15-16)24(22-17(2)10-7-11-18(22)3)23-19(4)12-8-13-20(23)5/h6,9,14-15,24H,2,4,7-8,10-13H2,1,3,5H3
InChIKeyKSLUWAXHBKSVAA-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.19
Rot. Bonds3

About 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene

1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene (PubChem CID 143279229) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene
PubChem CID143279229
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene
SMILESC=C1CCCC(C)=C1C(C1=C(C)CCCC1=C)c1cccc(C)c1
InChIInChI=1S/C24H30/c1-16-9-6-14-21(15-16)24(22-17(2)10-7-11-18(22)3)23-19(4)12-8-13-20(23)5/h6,9,14-15,24H,2,4,7-8,10-13H2,1,3,5H3
InChIKeyKSLUWAXHBKSVAA-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
1-methyl-3-(2-methylcyclopenten-1-yl)benzene
CID 10866804
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
CID 142381961
CID 142381961
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
1-methyl-3-[(3S)-pent-1-en-3-yl]benzene
CID 177475043
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene?
The IUPAC name of 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene (CID 143279229) is 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene.
What is the SMILES notation for 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene?
The canonical SMILES for 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene is C=C1CCCC(C)=C1C(C1=C(C)CCCC1=C)c1cccc(C)c1.
What is the InChIKey of 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene?
The InChIKey is KSLUWAXHBKSVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-16-9-6-14-21(15-16)24(22-17(2)10-7-11-18(22)3)23-19(4)12-8-13-20(23)5/h6,9,14-15,24H,2,4,7-8,10-13H2,1,3,5H3.
What are the key properties of 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene?
1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene has a molecular weight of 318.50 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene is sourced from PubChem (CID 143279229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).