2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane

C15H26 — CID 123920331

IUPAC2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane
SMILESCCCC(C)CCC1C2C(C3CC3C)C12
InChIInChI=1S/C15H26/c1-4-5-9(2)6-7-11-13-14(11)15(13)12-8-10(12)3/h9-15H,4-8H2,1-3H3
InChIKeyPVRIILMDVLBTPR-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane

2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane (PubChem CID 123920331) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane
PubChem CID123920331
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane
SMILESCCCC(C)CCC1C2C(C3CC3C)C12
InChIInChI=1S/C15H26/c1-4-5-9(2)6-7-11-13-14(11)15(13)12-8-10(12)3/h9-15H,4-8H2,1-3H3
InChIKeyPVRIILMDVLBTPR-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-(3-methylhexyl)cyclobutane
CID 90803912
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
4-methylheptane;propane
CID 142171269
2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
CID 123354520
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
acetylene;4-methylheptane
CID 143164229
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
1,2-dimethyl-3-(3-methylpentyl)cyclopropane
CID 91514348
2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane
CID 123239005

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane (CID 123920331) is 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane is CCCC(C)CCC1C2C(C3CC3C)C12.
What is the InChIKey of 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane?
The InChIKey is PVRIILMDVLBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-4-5-9(2)6-7-11-13-14(11)15(13)12-8-10(12)3/h9-15H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane?
2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane has a molecular weight of 206.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).