2,3,3,4,5,5,6,6,7,7-decamethylnonane

C19H40 — CID 123742035

IUPAC2,3,3,4,5,5,6,6,7,7-decamethylnonane
SMILESCCC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C(C)C
InChIInChI=1S/C19H40/c1-13-16(5,6)19(11,12)18(9,10)15(4)17(7,8)14(2)3/h14-15H,13H2,1-12H3
InChIKeyKYSBCWDQBPDQFK-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.79
Rot. Bonds6

About 2,3,3,4,5,5,6,6,7,7-decamethylnonane

2,3,3,4,5,5,6,6,7,7-decamethylnonane (PubChem CID 123742035) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 2,3,3,4,5,5,6,6,7,7-decamethylnonane.

Molecular Properties

Compound Name2,3,3,4,5,5,6,6,7,7-decamethylnonane
PubChem CID123742035
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name2,3,3,4,5,5,6,6,7,7-decamethylnonane
SMILESCCC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C(C)C
InChIInChI=1S/C19H40/c1-13-16(5,6)19(11,12)18(9,10)15(4)17(7,8)14(2)3/h14-15H,13H2,1-12H3
InChIKeyKYSBCWDQBPDQFK-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,5,6,6,7,7-decamethylnonane?
The IUPAC name of 2,3,3,4,5,5,6,6,7,7-decamethylnonane (CID 123742035) is 2,3,3,4,5,5,6,6,7,7-decamethylnonane.
What is the SMILES notation for 2,3,3,4,5,5,6,6,7,7-decamethylnonane?
The canonical SMILES for 2,3,3,4,5,5,6,6,7,7-decamethylnonane is CCC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,4,5,5,6,6,7,7-decamethylnonane?
The InChIKey is KYSBCWDQBPDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-13-16(5,6)19(11,12)18(9,10)15(4)17(7,8)14(2)3/h14-15H,13H2,1-12H3.
What are the key properties of 2,3,3,4,5,5,6,6,7,7-decamethylnonane?
2,3,3,4,5,5,6,6,7,7-decamethylnonane has a molecular weight of 268.53 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,5,6,6,7,7-decamethylnonane is sourced from PubChem (CID 123742035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).