1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane

C16H32 — CID 123274929

IUPAC1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane
SMILESCC(C)C(C)C(C)(C(C)C)C1(C)C(C)C1C
InChIInChI=1S/C16H32/c1-10(2)12(5)15(8,11(3)4)16(9)13(6)14(16)7/h10-14H,1-9H3
InChIKeyTZEJCLBIIUMXKP-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.23
Rot. Bonds4

About 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane

1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane (PubChem CID 123274929) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane
PubChem CID123274929
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane
SMILESCC(C)C(C)C(C)(C(C)C)C1(C)C(C)C1C
InChIInChI=1S/C16H32/c1-10(2)12(5)15(8,11(3)4)16(9)13(6)14(16)7/h10-14H,1-9H3
InChIKeyTZEJCLBIIUMXKP-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane?
The IUPAC name of 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane (CID 123274929) is 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane.
What is the SMILES notation for 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane?
The canonical SMILES for 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane is CC(C)C(C)C(C)(C(C)C)C1(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane?
The InChIKey is TZEJCLBIIUMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-10(2)12(5)15(8,11(3)4)16(9)13(6)14(16)7/h10-14H,1-9H3.
What are the key properties of 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane?
1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane has a molecular weight of 224.43 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane is sourced from PubChem (CID 123274929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).