1-butyl-2-(5,5-dimethylhexyl)cyclopropane

C15H30 — CID 140604745

IUPAC1-butyl-2-(5,5-dimethylhexyl)cyclopropane
SMILESCCCCC1CC1CCCCC(C)(C)C
InChIInChI=1S/C15H30/c1-5-6-9-13-12-14(13)10-7-8-11-15(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyBHIIOIGCHGTXOG-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds7

About 1-butyl-2-(5,5-dimethylhexyl)cyclopropane

1-butyl-2-(5,5-dimethylhexyl)cyclopropane (PubChem CID 140604745) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-butyl-2-(5,5-dimethylhexyl)cyclopropane.

Molecular Properties

Compound Name1-butyl-2-(5,5-dimethylhexyl)cyclopropane
PubChem CID140604745
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-butyl-2-(5,5-dimethylhexyl)cyclopropane
SMILESCCCCC1CC1CCCCC(C)(C)C
InChIInChI=1S/C15H30/c1-5-6-9-13-12-14(13)10-7-8-11-15(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyBHIIOIGCHGTXOG-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
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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Related Compounds

2,2,4-Trimethylheptane
CID 26839
Pentylcyclopropane
CID 75640
1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,6,6-Pentamethylheptane
CID 26058
Cyclopropane, nonyl-
CID 522556
2,2,8-Trimethyldecane
CID 522038
2,2,4,4,6,6,8-Heptamethylnonane
CID 27137
2,2,3-Trimethyldecane
CID 112483
3,3-Dimethyloctane
CID 138117
2,2,4,4,6-Pentamethylheptane
CID 112817
3,3,4-Trimethyldecane
CID 39499

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(5,5-dimethylhexyl)cyclopropane?
The IUPAC name of 1-butyl-2-(5,5-dimethylhexyl)cyclopropane (CID 140604745) is 1-butyl-2-(5,5-dimethylhexyl)cyclopropane.
What is the SMILES notation for 1-butyl-2-(5,5-dimethylhexyl)cyclopropane?
The canonical SMILES for 1-butyl-2-(5,5-dimethylhexyl)cyclopropane is CCCCC1CC1CCCCC(C)(C)C.
What is the InChIKey of 1-butyl-2-(5,5-dimethylhexyl)cyclopropane?
The InChIKey is BHIIOIGCHGTXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-6-9-13-12-14(13)10-7-8-11-15(2,3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-butyl-2-(5,5-dimethylhexyl)cyclopropane?
1-butyl-2-(5,5-dimethylhexyl)cyclopropane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(5,5-dimethylhexyl)cyclopropane is sourced from PubChem (CID 140604745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).