1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane

C21H40 — CID 123480041

IUPAC1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane
SMILESC=C(C)C(C(C)C)C(CCC)C1CC(C)C(C)C(C)C1C
InChIInChI=1S/C21H40/c1-10-11-19(21(13(2)3)14(4)5)20-12-15(6)16(7)17(8)18(20)9/h14-21H,2,10-12H2,1,3-9H3
InChIKeyVMSIUBOEBFMVMU-UHFFFAOYSA-N
MW292.55 g/mol
LogP6.82
Rot. Bonds6

About 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane

1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane (PubChem CID 123480041) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane
PubChem CID123480041
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane
SMILESC=C(C)C(C(C)C)C(CCC)C1CC(C)C(C)C(C)C1C
InChIInChI=1S/C21H40/c1-10-11-19(21(13(2)3)14(4)5)20-12-15(6)16(7)17(8)18(20)9/h14-21H,2,10-12H2,1,3-9H3
InChIKeyVMSIUBOEBFMVMU-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane 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

1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
3-fluoro-2,4-dimethylhept-1-ene
CID 145493748
1-methyl-2-(2-methyloctan-3-yl)cyclopropane
CID 123773820
N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
CID 79177520
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
1-methyl-2-(6-methyl-4-propylheptan-3-yl)cyclopropane
CID 123883056
1-(4-ethyl-5-methyloctan-2-yl)-2-methylcyclopropane
CID 123850669
1-[1-(2-methylcyclopropyl)propylamino]butan-1-ol
CID 89249335
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane?
The IUPAC name of 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane (CID 123480041) is 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane?
The canonical SMILES for 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane is C=C(C)C(C(C)C)C(CCC)C1CC(C)C(C)C(C)C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane?
The InChIKey is VMSIUBOEBFMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-10-11-19(21(13(2)3)14(4)5)20-12-15(6)16(7)17(8)18(20)9/h14-21H,2,10-12H2,1,3-9H3.
What are the key properties of 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane?
1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane has a molecular weight of 292.55 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-(2-methyl-3-propan-2-ylhept-1-en-4-yl)cyclohexane is sourced from PubChem (CID 123480041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).