1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane

C16H32 — CID 123674308

IUPAC1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane
SMILESCCC(C(C)C1CC1C)C(CC)(CC)CC
InChIInChI=1S/C16H32/c1-7-15(13(6)14-11-12(14)5)16(8-2,9-3)10-4/h12-15H,7-11H2,1-6H3
InChIKeyCNECBNNQKOTGCF-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.52
Rot. Bonds7

About 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane

1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane (PubChem CID 123674308) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane
PubChem CID123674308
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane
SMILESCCC(C(C)C1CC1C)C(CC)(CC)CC
InChIInChI=1S/C16H32/c1-7-15(13(6)14-11-12(14)5)16(8-2,9-3)10-4/h12-15H,7-11H2,1-6H3
InChIKeyCNECBNNQKOTGCF-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
2,2,4,4,6,6,8-Heptamethylnonane
CID 27137
2,2,3-Trimethyldecane
CID 112483
3,3,4-Trimethyldecane
CID 39499
2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
CID 137802
2,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane
CID 41453
Octadecane, 9-ethyl-9-heptyl-
CID 298664
2,6,10,14-Tetramethyl-7-(3-methyl-pentyl)-pentadecane
CID 14275206
2,2,3-Trimethylnonane
CID 41461
2,2,4,4,5,5,7,7-Octamethyloctane
CID 78850
Undecane, 5-ethyl-5-propyl-
CID 520323

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane?
The IUPAC name of 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane (CID 123674308) is 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane?
The canonical SMILES for 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane is CCC(C(C)C1CC1C)C(CC)(CC)CC.
What is the InChIKey of 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane?
The InChIKey is CNECBNNQKOTGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-15(13(6)14-11-12(14)5)16(8-2,9-3)10-4/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane?
1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane has a molecular weight of 224.43 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,4,4-triethylhexan-2-yl)cyclopropane is sourced from PubChem (CID 123674308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).