2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane

C19H36 — CID 90694013

IUPAC2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane
SMILESCC(C)CC(C)C(C)CCCCCC1(C)C2C(C)C21
InChIInChI=1S/C19H36/c1-13(2)12-15(4)14(3)10-8-7-9-11-19(6)17-16(5)18(17)19/h13-18H,7-12H2,1-6H3
InChIKeySAZZGRJCWJTNIE-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.16
Rot. Bonds9

About 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane

2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane (PubChem CID 90694013) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane
PubChem CID90694013
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane
SMILESCC(C)CC(C)C(C)CCCCCC1(C)C2C(C)C21
InChIInChI=1S/C19H36/c1-13(2)12-15(4)14(3)10-8-7-9-11-19(6)17-16(5)18(17)19/h13-18H,7-12H2,1-6H3
InChIKeySAZZGRJCWJTNIE-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane?
The IUPAC name of 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane (CID 90694013) is 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane is CC(C)CC(C)C(C)CCCCCC1(C)C2C(C)C21.
What is the InChIKey of 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane?
The InChIKey is SAZZGRJCWJTNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-13(2)12-15(4)14(3)10-8-7-9-11-19(6)17-16(5)18(17)19/h13-18H,7-12H2,1-6H3.
What are the key properties of 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane?
2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane has a molecular weight of 264.50 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(6,7,9-trimethyldecyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 90694013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).