4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane

C25H50 — CID 42608275

IUPAC4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane
SMILESCCC(C)CCCC(C)(CCCC(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C25H50/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h19-24H,9-18H2,1-8H3
InChIKeyFHBMTRKEZPTTIQ-UHFFFAOYSA-N
MW350.68 g/mol
LogP8.74
Rot. Bonds11

About 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane

4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane (PubChem CID 42608275) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane
PubChem CID42608275
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane
SMILESCCC(C)CCCC(C)(CCCC(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C25H50/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h19-24H,9-18H2,1-8H3
InChIKeyFHBMTRKEZPTTIQ-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane?
The IUPAC name of 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane (CID 42608275) is 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane is CCC(C)CCCC(C)(CCCC(C)C)C1CC(C)CCC1C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane?
The InChIKey is FHBMTRKEZPTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h19-24H,9-18H2,1-8H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane?
4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane has a molecular weight of 350.68 g/mol, XLogP of 8.74, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-(2,6,10-trimethyldodecan-6-yl)cyclohexane is sourced from PubChem (CID 42608275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).