methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene

C18H34 — CID 143896522

IUPACmethane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene
SMILESC.C/C=C/C1C(CCC)=C(C)CCC1CC(C)C
InChIInChI=1S/C17H30.CH4/c1-6-8-16-14(5)10-11-15(12-13(3)4)17(16)9-7-2;/h7,9,13,15,17H,6,8,10-12H2,1-5H3;1H4/b9-7+;
InChIKeyZIWHERHTJBQKHB-BXTVWIJMSA-N
MW250.47 g/mol
LogP6.39
Rot. Bonds5

About methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene

methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene (PubChem CID 143896522) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene.

Molecular Properties

Compound Namemethane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene
PubChem CID143896522
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Namemethane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene
SMILESC.C/C=C/C1C(CCC)=C(C)CCC1CC(C)C
InChIInChI=1S/C17H30.CH4/c1-6-8-16-14(5)10-11-15(12-13(3)4)17(16)9-7-2;/h7,9,13,15,17H,6,8,10-12H2,1-5H3;1H4/b9-7+;
InChIKeyZIWHERHTJBQKHB-BXTVWIJMSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene?
The IUPAC name of methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene (CID 143896522) is methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene.
What is the SMILES notation for methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene?
The canonical SMILES for methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene is C.C/C=C/C1C(CCC)=C(C)CCC1CC(C)C.
What is the InChIKey of methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene?
The InChIKey is ZIWHERHTJBQKHB-BXTVWIJMSA-N. The full InChI is InChI=1S/C17H30.CH4/c1-6-8-16-14(5)10-11-15(12-13(3)4)17(16)9-7-2;/h7,9,13,15,17H,6,8,10-12H2,1-5H3;1H4/b9-7+;.
What are the key properties of methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene?
methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene has a molecular weight of 250.47 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-(2-methylpropyl)-3-[(E)-prop-1-enyl]-2-propylcyclohexene is sourced from PubChem (CID 143896522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).