2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane

C12H22 — CID 123239005

IUPAC2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane
SMILESCCCC(C)CC1C2C(CC)C12
InChIInChI=1S/C12H22/c1-4-6-8(3)7-10-11-9(5-2)12(10)11/h8-12H,4-7H2,1-3H3
InChIKeySPNZLUCQDCJXEG-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds5

About 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane

2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane (PubChem CID 123239005) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane
PubChem CID123239005
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane
SMILESCCCC(C)CC1C2C(CC)C12
InChIInChI=1S/C12H22/c1-4-6-8(3)7-10-11-9(5-2)12(10)11/h8-12H,4-7H2,1-3H3
InChIKeySPNZLUCQDCJXEG-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-3-(2-methylpentyl)bicyclo[2.1.0]pent-1(5)-ene
CID 91269342
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
4-methylheptane;propane
CID 142171269
1-ethyl-2-[2-(2-methylpentyl)cyclopropyl]cyclopropane
CID 123748919
acetylene;4-methylheptane
CID 143164229
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
3-(2-methylpentyl)thietane 1,1-dioxide
CID 154981410
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
CID 123354520
4-methylheptane;pentane
CID 142501546
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane (CID 123239005) is 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane is CCCC(C)CC1C2C(CC)C12.
What is the InChIKey of 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane?
The InChIKey is SPNZLUCQDCJXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-8(3)7-10-11-9(5-2)12(10)11/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane?
2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123239005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).