1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane

C18H34 — CID 91369928

IUPAC1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane
SMILESCCCC1(CC(C)C(C)C(C)(C)CC)C2CC21C
InChIInChI=1S/C18H34/c1-8-10-18(15-12-17(15,18)7)11-13(3)14(4)16(5,6)9-2/h13-15H,8-12H2,1-7H3
InChIKeyOEHZUFATOASMOQ-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds7

About 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane

1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane (PubChem CID 91369928) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane
PubChem CID91369928
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane
SMILESCCCC1(CC(C)C(C)C(C)(C)CC)C2CC21C
InChIInChI=1S/C18H34/c1-8-10-18(15-12-17(15,18)7)11-13(3)14(4)16(5,6)9-2/h13-15H,8-12H2,1-7H3
InChIKeyOEHZUFATOASMOQ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane?
The IUPAC name of 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane (CID 91369928) is 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane?
The canonical SMILES for 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane is CCCC1(CC(C)C(C)C(C)(C)CC)C2CC21C.
What is the InChIKey of 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane?
The InChIKey is OEHZUFATOASMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-8-10-18(15-12-17(15,18)7)11-13(3)14(4)16(5,6)9-2/h13-15H,8-12H2,1-7H3.
What are the key properties of 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane?
1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyl-2-(2,3,4,4-tetramethylhexyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 91369928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).