2,3,3,4,5,6,9-heptamethyldecane

C17H36 — CID 123303076

IUPAC2,3,3,4,5,6,9-heptamethyldecane
SMILESCC(C)CCC(C)C(C)C(C)C(C)(C)C(C)C
InChIInChI=1S/C17H36/c1-12(2)10-11-14(5)15(6)16(7)17(8,9)13(3)4/h12-16H,10-11H2,1-9H3
InChIKeyMJFCEJICPDPQED-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.01
Rot. Bonds7

About 2,3,3,4,5,6,9-heptamethyldecane

2,3,3,4,5,6,9-heptamethyldecane (PubChem CID 123303076) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2,3,3,4,5,6,9-heptamethyldecane.

Molecular Properties

Compound Name2,3,3,4,5,6,9-heptamethyldecane
PubChem CID123303076
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2,3,3,4,5,6,9-heptamethyldecane
SMILESCC(C)CCC(C)C(C)C(C)C(C)(C)C(C)C
InChIInChI=1S/C17H36/c1-12(2)10-11-14(5)15(6)16(7)17(8,9)13(3)4/h12-16H,10-11H2,1-9H3
InChIKeyMJFCEJICPDPQED-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
6-Propyltridecane
CID 521567
tert-Butylcyclohexane
CID 18508
3-Methylpentadecane
CID 17899
2,6,10-Trimethylpentadecane
CID 19775
7-Methylheptadecane
CID 30398
3-Methylheptadecane
CID 94321
Heptadecane, 5-methyl-
CID 185593

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,6,9-heptamethyldecane?
The IUPAC name of 2,3,3,4,5,6,9-heptamethyldecane (CID 123303076) is 2,3,3,4,5,6,9-heptamethyldecane.
What is the SMILES notation for 2,3,3,4,5,6,9-heptamethyldecane?
The canonical SMILES for 2,3,3,4,5,6,9-heptamethyldecane is CC(C)CCC(C)C(C)C(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,4,5,6,9-heptamethyldecane?
The InChIKey is MJFCEJICPDPQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-12(2)10-11-14(5)15(6)16(7)17(8,9)13(3)4/h12-16H,10-11H2,1-9H3.
What are the key properties of 2,3,3,4,5,6,9-heptamethyldecane?
2,3,3,4,5,6,9-heptamethyldecane has a molecular weight of 240.47 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,6,9-heptamethyldecane is sourced from PubChem (CID 123303076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).