2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane

C60H130 — CID 161261647

IUPAC2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
SMILESCC(C)CCCCC(C)C.CC(C)CCCCCC(C)C.CC(C)CCCCCCC(C)C.CC(C)CCCCCCCC(C)C.CC(C)CCCCCCCCC(C)C
InChIInChI=1S/C14H30.C13H28.C12H26.C11H24.C10H22/c1-13(2)11-9-7-5-6-8-10-12-14(3)4;1-12(2)10-8-6-5-7-9-11-13(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-10(2)8-6-5-7-9-11(3)4;1-9(2)7-5-6-8-10(3)4/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyVCPZEYOUDURMEN-UHFFFAOYSA-N
MW851.70 g/mol
LogP23.19
Rot. Bonds35

About 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane (PubChem CID 161261647) has the molecular formula C60H130 and a molecular weight of 851.70 g/mol. Its IUPAC name is 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane.

Molecular Properties

Compound Name2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
PubChem CID161261647
Molecular FormulaC60H130
Molecular Weight851.70 g/mol
Exact Mass851.02
IUPAC Name2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
SMILESCC(C)CCCCC(C)C.CC(C)CCCCCC(C)C.CC(C)CCCCCCC(C)C.CC(C)CCCCCCCC(C)C.CC(C)CCCCCCCCC(C)C
InChIInChI=1S/C14H30.C13H28.C12H26.C11H24.C10H22/c1-13(2)11-9-7-5-6-8-10-12-14(3)4;1-12(2)10-8-6-5-7-9-11-13(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-10(2)8-6-5-7-9-11(3)4;1-9(2)7-5-6-8-10(3)4/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyVCPZEYOUDURMEN-UHFFFAOYSA-N
XLogP23.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.70
LogP ≤ 523.19
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

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2-methylpentaoctacontane
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2-methyltetratriacontane
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CID 151699977
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CID 174844655
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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane?
The IUPAC name of 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane (CID 161261647) is 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane.
What is the SMILES notation for 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane?
The canonical SMILES for 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane is CC(C)CCCCC(C)C.CC(C)CCCCCC(C)C.CC(C)CCCCCCC(C)C.CC(C)CCCCCCCC(C)C.CC(C)CCCCCCCCC(C)C.
What is the InChIKey of 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane?
The InChIKey is VCPZEYOUDURMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C13H28.C12H26.C11H24.C10H22/c1-13(2)11-9-7-5-6-8-10-12-14(3)4;1-12(2)10-8-6-5-7-9-11-13(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-10(2)8-6-5-7-9-11(3)4;1-9(2)7-5-6-8-10(3)4/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane?
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane has a molecular weight of 851.70 g/mol, XLogP of 23.19, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane is sourced from PubChem (CID 161261647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).