1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane

C12H24 — CID 123583157

IUPAC1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane
SMILESCC(CCC(C)(C)C)C1(C)CC1
InChIInChI=1S/C12H24/c1-10(12(5)8-9-12)6-7-11(2,3)4/h10H,6-9H2,1-5H3
InChIKeyDDJXBPUZEGEKRG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds3

About 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane

1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane (PubChem CID 123583157) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane.

Molecular Properties

Compound Name1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane
PubChem CID123583157
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane
SMILESCC(CCC(C)(C)C)C1(C)CC1
InChIInChI=1S/C12H24/c1-10(12(5)8-9-12)6-7-11(2,3)4/h10H,6-9H2,1-5H3
InChIKeyDDJXBPUZEGEKRG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
tert-Butylcyclohexane
CID 18508
2,2,8-Trimethyldecane
CID 522038
2,2,3-Trimethyldecane
CID 112483
3,3,4-Trimethyldecane
CID 39499
2,2,4-Trimethyldecane
CID 545792
2,2,3,3,5,6,6-Heptamethylheptane
CID 23652
1-Methyl-2-pentylcyclopropane
CID 524612
2,2,6-Trimethyldecane
CID 545798
Pentamethylheptane
CID 3033849
trans-1-Butyl-2-methylcyclopropane
CID 6432402
2,2,3-Trimethylnonane
CID 41461

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane?
The IUPAC name of 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane (CID 123583157) is 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane.
What is the SMILES notation for 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane?
The canonical SMILES for 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane is CC(CCC(C)(C)C)C1(C)CC1.
What is the InChIKey of 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane?
The InChIKey is DDJXBPUZEGEKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-10(12(5)8-9-12)6-7-11(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane?
1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane is sourced from PubChem (CID 123583157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).