2,2,3,5,7,8,9,9,10-nonamethylundecane

C20H42 — CID 90755747

IUPAC2,2,3,5,7,8,9,9,10-nonamethylundecane
SMILESCC(CC(C)C(C)C(C)(C)C(C)C)CC(C)C(C)(C)C
InChIInChI=1S/C20H42/c1-14(2)20(10,11)18(6)16(4)12-15(3)13-17(5)19(7,8)9/h14-18H,12-13H2,1-11H3
InChIKeyRPPKLYPMJNLVSV-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.04
Rot. Bonds7

About 2,2,3,5,7,8,9,9,10-nonamethylundecane

2,2,3,5,7,8,9,9,10-nonamethylundecane (PubChem CID 90755747) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 2,2,3,5,7,8,9,9,10-nonamethylundecane.

Molecular Properties

Compound Name2,2,3,5,7,8,9,9,10-nonamethylundecane
PubChem CID90755747
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name2,2,3,5,7,8,9,9,10-nonamethylundecane
SMILESCC(CC(C)C(C)C(C)(C)C(C)C)CC(C)C(C)(C)C
InChIInChI=1S/C20H42/c1-14(2)20(10,11)18(6)16(4)12-15(3)13-17(5)19(7,8)9/h14-18H,12-13H2,1-11H3
InChIKeyRPPKLYPMJNLVSV-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,3,5,7,8,9,9,10-nonamethylundecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,7,8,9,9,10-nonamethylundecane?
The IUPAC name of 2,2,3,5,7,8,9,9,10-nonamethylundecane (CID 90755747) is 2,2,3,5,7,8,9,9,10-nonamethylundecane.
What is the SMILES notation for 2,2,3,5,7,8,9,9,10-nonamethylundecane?
The canonical SMILES for 2,2,3,5,7,8,9,9,10-nonamethylundecane is CC(CC(C)C(C)C(C)(C)C(C)C)CC(C)C(C)(C)C.
What is the InChIKey of 2,2,3,5,7,8,9,9,10-nonamethylundecane?
The InChIKey is RPPKLYPMJNLVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-14(2)20(10,11)18(6)16(4)12-15(3)13-17(5)19(7,8)9/h14-18H,12-13H2,1-11H3.
What are the key properties of 2,2,3,5,7,8,9,9,10-nonamethylundecane?
2,2,3,5,7,8,9,9,10-nonamethylundecane has a molecular weight of 282.56 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,7,8,9,9,10-nonamethylundecane is sourced from PubChem (CID 90755747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).