1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane

C15H28 — CID 123501485

IUPAC1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane
SMILESC=C(CC)C1C(C)C(C)C(C)C(C)C1C
InChIInChI=1S/C15H28/c1-8-9(2)15-13(6)11(4)10(3)12(5)14(15)7/h10-15H,2,8H2,1,3-7H3
InChIKeyRLZJFMGFMYXKDV-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.76
Rot. Bonds2

About 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane

1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane (PubChem CID 123501485) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane.

Molecular Properties

Compound Name1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane
PubChem CID123501485
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane
SMILESC=C(CC)C1C(C)C(C)C(C)C(C)C1C
InChIInChI=1S/C15H28/c1-8-9(2)15-13(6)11(4)10(3)12(5)14(15)7/h10-15H,2,8H2,1,3-7H3
InChIKeyRLZJFMGFMYXKDV-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane?
The IUPAC name of 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane (CID 123501485) is 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane.
What is the SMILES notation for 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane?
The canonical SMILES for 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane is C=C(CC)C1C(C)C(C)C(C)C(C)C1C.
What is the InChIKey of 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane?
The InChIKey is RLZJFMGFMYXKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-8-9(2)15-13(6)11(4)10(3)12(5)14(15)7/h10-15H,2,8H2,1,3-7H3.
What are the key properties of 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane?
1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane has a molecular weight of 208.39 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane is sourced from PubChem (CID 123501485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).