1,2,16-triethyl-15-methylcyclopentatriacontane

C42H84 — CID 123855410

IUPAC1,2,16-triethyl-15-methylcyclopentatriacontane
SMILESCCC1CCCCCCCCCCCCCCCCCCCC(CC)C(CC)CCCCCCCCCCCCC1C
InChIInChI=1S/C42H84/c1-5-40-36-32-28-24-20-15-13-11-9-8-10-12-14-16-21-25-29-33-37-41(6-2)42(7-3)38-34-30-26-22-18-17-19-23-27-31-35-39(40)4/h39-42H,5-38H2,1-4H3
InChIKeyMVGHPLVGBGQGLE-UHFFFAOYSA-N
MW589.13 g/mol
LogP15.81
Rot. Bonds3

About 1,2,16-triethyl-15-methylcyclopentatriacontane

1,2,16-triethyl-15-methylcyclopentatriacontane (PubChem CID 123855410) has the molecular formula C42H84 and a molecular weight of 589.13 g/mol. Its IUPAC name is 1,2,16-triethyl-15-methylcyclopentatriacontane.

Molecular Properties

Compound Name1,2,16-triethyl-15-methylcyclopentatriacontane
PubChem CID123855410
Molecular FormulaC42H84
Molecular Weight589.13 g/mol
Exact Mass588.66
IUPAC Name1,2,16-triethyl-15-methylcyclopentatriacontane
SMILESCCC1CCCCCCCCCCCCCCCCCCCC(CC)C(CC)CCCCCCCCCCCCC1C
InChIInChI=1S/C42H84/c1-5-40-36-32-28-24-20-15-13-11-9-8-10-12-14-16-21-25-29-33-37-41(6-2)42(7-3)38-34-30-26-22-18-17-19-23-27-31-35-39(40)4/h39-42H,5-38H2,1-4H3
InChIKeyMVGHPLVGBGQGLE-UHFFFAOYSA-N
XLogP15.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.13
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,16-triethyl-15-methylcyclopentatriacontane?
The IUPAC name of 1,2,16-triethyl-15-methylcyclopentatriacontane (CID 123855410) is 1,2,16-triethyl-15-methylcyclopentatriacontane.
What is the SMILES notation for 1,2,16-triethyl-15-methylcyclopentatriacontane?
The canonical SMILES for 1,2,16-triethyl-15-methylcyclopentatriacontane is CCC1CCCCCCCCCCCCCCCCCCCC(CC)C(CC)CCCCCCCCCCCCC1C.
What is the InChIKey of 1,2,16-triethyl-15-methylcyclopentatriacontane?
The InChIKey is MVGHPLVGBGQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H84/c1-5-40-36-32-28-24-20-15-13-11-9-8-10-12-14-16-21-25-29-33-37-41(6-2)42(7-3)38-34-30-26-22-18-17-19-23-27-31-35-39(40)4/h39-42H,5-38H2,1-4H3.
What are the key properties of 1,2,16-triethyl-15-methylcyclopentatriacontane?
1,2,16-triethyl-15-methylcyclopentatriacontane has a molecular weight of 589.13 g/mol, XLogP of 15.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,16-triethyl-15-methylcyclopentatriacontane is sourced from PubChem (CID 123855410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).