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

C19H40 — CID 123949494

IUPAC2,2,3,3,4,4,6,6,7,7-decamethylnonane
SMILESCCC(C)(C)C(C)(C)CC(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H40/c1-13-16(5,6)17(7,8)14-18(9,10)19(11,12)15(2,3)4/h13-14H2,1-12H3
InChIKeyTVYVKHDHNJPGHC-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.94
Rot. Bonds5

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

2,2,3,3,4,4,6,6,7,7-decamethylnonane (PubChem CID 123949494) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 2,2,3,3,4,4,6,6,7,7-decamethylnonane.

Molecular Properties

Compound Name2,2,3,3,4,4,6,6,7,7-decamethylnonane
PubChem CID123949494
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name2,2,3,3,4,4,6,6,7,7-decamethylnonane
SMILESCCC(C)(C)C(C)(C)CC(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H40/c1-13-16(5,6)17(7,8)14-18(9,10)19(11,12)15(2,3)4/h13-14H2,1-12H3
InChIKeyTVYVKHDHNJPGHC-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,6,6,7,7-decamethylnonane?
The IUPAC name of 2,2,3,3,4,4,6,6,7,7-decamethylnonane (CID 123949494) is 2,2,3,3,4,4,6,6,7,7-decamethylnonane.
What is the SMILES notation for 2,2,3,3,4,4,6,6,7,7-decamethylnonane?
The canonical SMILES for 2,2,3,3,4,4,6,6,7,7-decamethylnonane is CCC(C)(C)C(C)(C)CC(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4,4,6,6,7,7-decamethylnonane?
The InChIKey is TVYVKHDHNJPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-13-16(5,6)17(7,8)14-18(9,10)19(11,12)15(2,3)4/h13-14H2,1-12H3.
What are the key properties of 2,2,3,3,4,4,6,6,7,7-decamethylnonane?
2,2,3,3,4,4,6,6,7,7-decamethylnonane has a molecular weight of 268.53 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,6,6,7,7-decamethylnonane is sourced from PubChem (CID 123949494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).