1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane

C16H32 — CID 123844660

IUPAC1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane
SMILESCCC(C)C(C)C(C)C(CC)C1C(C)C1C
InChIInChI=1S/C16H32/c1-8-10(3)11(4)12(5)15(9-2)16-13(6)14(16)7/h10-16H,8-9H2,1-7H3
InChIKeyYDFLHOMXTJZDKL-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.23
Rot. Bonds6

About 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane

1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane (PubChem CID 123844660) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane
PubChem CID123844660
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane
SMILESCCC(C)C(C)C(C)C(CC)C1C(C)C1C
InChIInChI=1S/C16H32/c1-8-10(3)11(4)12(5)15(9-2)16-13(6)14(16)7/h10-16H,8-9H2,1-7H3
InChIKeyYDFLHOMXTJZDKL-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
3,4,5,6,8-pentamethyldecane
CID 123810037
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
CID 162191243
(4S)-2,3,4-trimethylhexane
CID 58359072
2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114
3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
CID 123401956
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane
CID 123816239
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
ethane;3,4,5,6,7,8,8,9,10,11,12,13,14-tridecamethylhexadecane
CID 159389585

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane?
The IUPAC name of 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane (CID 123844660) is 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane.
What is the SMILES notation for 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane?
The canonical SMILES for 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane is CCC(C)C(C)C(C)C(CC)C1C(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane?
The InChIKey is YDFLHOMXTJZDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-8-10(3)11(4)12(5)15(9-2)16-13(6)14(16)7/h10-16H,8-9H2,1-7H3.
What are the key properties of 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane?
1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane has a molecular weight of 224.43 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane is sourced from PubChem (CID 123844660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).