2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane

C14H28 — CID 90861114

IUPAC2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
SMILESCCC(C)C(C)C(CC)C1CC1(C)C
InChIInChI=1S/C14H28/c1-7-10(3)11(4)12(8-2)13-9-14(13,5)6/h10-13H,7-9H2,1-6H3
InChIKeyVXYMZCIPXIWDKQ-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds5

About 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane

2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane (PubChem CID 90861114) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
PubChem CID90861114
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
SMILESCCC(C)C(C)C(CC)C1CC1(C)C
InChIInChI=1S/C14H28/c1-7-10(3)11(4)12(8-2)13-9-14(13,5)6/h10-13H,7-9H2,1-6H3
InChIKeyVXYMZCIPXIWDKQ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
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 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane (CID 90861114) is 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane is CCC(C)C(C)C(CC)C1CC1(C)C.
What is the InChIKey of 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane?
The InChIKey is VXYMZCIPXIWDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-10(3)11(4)12(8-2)13-9-14(13,5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane?
2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 90861114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).