4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane

C30H60 — CID 42608283

IUPAC4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane
SMILESCCC(C)CCCC(C)(CCCC(C)CCCC(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C30H60/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h23-29H,10-22H2,1-9H3
InChIKeyCYGHPBQDCJXIPT-UHFFFAOYSA-N
MW420.81 g/mol
LogP10.55
Rot. Bonds15

About 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane

4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane (PubChem CID 42608283) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane
PubChem CID42608283
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane
SMILESCCC(C)CCCC(C)(CCCC(C)CCCC(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C30H60/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h23-29H,10-22H2,1-9H3
InChIKeyCYGHPBQDCJXIPT-UHFFFAOYSA-N
XLogP10.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 510.55
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-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane?
The IUPAC name of 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane (CID 42608283) is 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane is CCC(C)CCCC(C)(CCCC(C)CCCC(C)C)C1CC(C)CCC1C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane?
The InChIKey is CYGHPBQDCJXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h23-29H,10-22H2,1-9H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane?
4-methyl-1-propan-2-yl-2-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane has a molecular weight of 420.81 g/mol, XLogP of 10.55, 15 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-(3,7,11,15-tetramethylhexadecan-7-yl)cyclohexane is sourced from PubChem (CID 42608283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).