1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene

C17H28 — CID 59720725

IUPAC1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
SMILESCC1=CCCC(C(C)(C)C2CCC=C(C)C2)C1
InChIInChI=1S/C17H28/c1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16/h7-8,15-16H,5-6,9-12H2,1-4H3
InChIKeyKCAZNMUNOGACAO-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.51
Rot. Bonds2

About 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene

1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene (PubChem CID 59720725) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene.

Molecular Properties

Compound Name1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
PubChem CID59720725
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
SMILESCC1=CCCC(C(C)(C)C2CCC=C(C)C2)C1
InChIInChI=1S/C17H28/c1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16/h7-8,15-16H,5-6,9-12H2,1-4H3
InChIKeyKCAZNMUNOGACAO-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene 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

ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 143264165
2-(3-methylcyclohex-3-en-1-yl)propan-2-yl hydrogen carbonate
CID 154428049
1,5-dimethylcyclohexene
CID 520362
(1R)-3-methylcyclohex-3-en-1-ol
CID 144556307
(5R)-1-methyl-5-propan-2-ylcyclohexene
CID 91700558
(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate
CID 70144486
N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide
CID 102321903
5-(chloromethyl)-1-methylcyclohexene
CID 152729748
5-tert-butylcyclohexen-1-amine
CID 142080220
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
CID 23092808
(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
CID 23092826
5-methylcyclooct-5-ene-1,2-diol
CID 68741308

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
The IUPAC name of 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene (CID 59720725) is 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene.
What is the SMILES notation for 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
The canonical SMILES for 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene is CC1=CCCC(C(C)(C)C2CCC=C(C)C2)C1.
What is the InChIKey of 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
The InChIKey is KCAZNMUNOGACAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16/h7-8,15-16H,5-6,9-12H2,1-4H3.
What are the key properties of 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene has a molecular weight of 232.41 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene is sourced from PubChem (CID 59720725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).