6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane

C31H64 — CID 123530373

IUPAC6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane
SMILESCCCCCC(C)CCC(CCCC(C)CC)CC(C)CC(C)CC(C)CCCCC
InChIInChI=1S/C31H64/c1-9-12-14-17-27(5)21-22-31(20-16-19-26(4)11-3)25-30(8)24-29(7)23-28(6)18-15-13-10-2/h26-31H,9-25H2,1-8H3
InChIKeyBZAQQAXAYDSYPO-UHFFFAOYSA-N
MW436.85 g/mol
LogP11.47
Rot. Bonds22

About 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane

6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane (PubChem CID 123530373) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane.

Molecular Properties

Compound Name6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane
PubChem CID123530373
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Name6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane
SMILESCCCCCC(C)CCC(CCCC(C)CC)CC(C)CC(C)CC(C)CCCCC
InChIInChI=1S/C31H64/c1-9-12-14-17-27(5)21-22-31(20-16-19-26(4)11-3)25-30(8)24-29(7)23-28(6)18-15-13-10-2/h26-31H,9-25H2,1-8H3
InChIKeyBZAQQAXAYDSYPO-UHFFFAOYSA-N
XLogP11.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-5-(2-methylbutyl)tridecane
CID 57219867
15-butyl-3,6-dimethylhexacosane
CID 153276660
3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
CID 161458524
6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
9-butyl-7-methylhexadecane
CID 90905022
13-ethyl-3,8-dimethyloctadecane
CID 123214629
3,7,15-trimethylnonacosane
CID 6430417
15,19,21-trimethylheptatriacontane
CID 20837834
3,9,13,27-tetramethylhentetracontane
CID 6430636
3,7,11,15-tetramethylpentatriacontane
CID 6431066
8-methyl-6-propyltetradecane
CID 90964105
13-ethyl-16-methyltriacontane
CID 123421227

Frequently Asked Questions

What is the IUPAC name of 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane?
The IUPAC name of 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane (CID 123530373) is 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane.
What is the SMILES notation for 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane?
The canonical SMILES for 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane is CCCCCC(C)CCC(CCCC(C)CC)CC(C)CC(C)CC(C)CCCCC.
What is the InChIKey of 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane?
The InChIKey is BZAQQAXAYDSYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-9-12-14-17-27(5)21-22-31(20-16-19-26(4)11-3)25-30(8)24-29(7)23-28(6)18-15-13-10-2/h26-31H,9-25H2,1-8H3.
What are the key properties of 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane?
6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane has a molecular weight of 436.85 g/mol, XLogP of 11.47, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane is sourced from PubChem (CID 123530373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).