1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane

C17H32 — CID 91598566

IUPAC1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane
SMILESCCC(C)CC(C)CC12C(C)C1(C)C2C(C)C
InChIInChI=1S/C17H32/c1-8-12(4)9-13(5)10-17-14(6)16(17,7)15(17)11(2)3/h11-15H,8-10H2,1-7H3
InChIKeyOYYUGUQYJWAFHF-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.38
Rot. Bonds6

About 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane

1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 91598566) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane
PubChem CID91598566
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane
SMILESCCC(C)CC(C)CC12C(C)C1(C)C2C(C)C
InChIInChI=1S/C17H32/c1-8-12(4)9-13(5)10-17-14(6)16(17,7)15(17)11(2)3/h11-15H,8-10H2,1-7H3
InChIKeyOYYUGUQYJWAFHF-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane (CID 91598566) is 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane is CCC(C)CC(C)CC12C(C)C1(C)C2C(C)C.
What is the InChIKey of 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is OYYUGUQYJWAFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-12(4)9-13(5)10-17-14(6)16(17,7)15(17)11(2)3/h11-15H,8-10H2,1-7H3.
What are the key properties of 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane?
1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 236.44 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 91598566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).