1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane

C16H32 — CID 123993522

IUPAC1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane
SMILESCCC1(C)CC1(C)C(C)(C)CCCC(C)C
InChIInChI=1S/C16H32/c1-8-15(6)12-16(15,7)14(4,5)11-9-10-13(2)3/h13H,8-12H2,1-7H3
InChIKeyAOHCYCVAYHRPOZ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds6

About 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane

1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane (PubChem CID 123993522) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane
PubChem CID123993522
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane
SMILESCCC1(C)CC1(C)C(C)(C)CCCC(C)C
InChIInChI=1S/C16H32/c1-8-15(6)12-16(15,7)14(4,5)11-9-10-13(2)3/h13H,8-12H2,1-7H3
InChIKeyAOHCYCVAYHRPOZ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
1-(2,6-dimethylheptan-2-yl)piperazine
CID 116931981
6-fluoro-2,6-dimethylundecane
CID 155274662
2-ethyl-2,6-dimethylheptanal
CID 57421645
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
6,6-difluoro-2,10-dimethylundecane
CID 169289858
N-(2,6-dimethylheptan-2-yl)hydroxylamine
CID 138599633
1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
CID 91584385
6-ethyl-2,6,7-trimethyldecane
CID 123269799
(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
2-ethyl-2,6-dimethylheptanethial
CID 57421669

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane?
The IUPAC name of 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane (CID 123993522) is 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane.
What is the SMILES notation for 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane?
The canonical SMILES for 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane is CCC1(C)CC1(C)C(C)(C)CCCC(C)C.
What is the InChIKey of 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane?
The InChIKey is AOHCYCVAYHRPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-8-15(6)12-16(15,7)14(4,5)11-9-10-13(2)3/h13H,8-12H2,1-7H3.
What are the key properties of 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane?
1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane is sourced from PubChem (CID 123993522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).