2,3,5,6,7,7-hexamethylnonane

C15H32 — CID 123984490

IUPAC2,3,5,6,7,7-hexamethylnonane
SMILESCCC(C)(C)C(C)C(C)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-9-15(7,8)14(6)13(5)10-12(4)11(2)3/h11-14H,9-10H2,1-8H3
InChIKeyQDQVYPGBICJHPK-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.38
Rot. Bonds6

About 2,3,5,6,7,7-hexamethylnonane

2,3,5,6,7,7-hexamethylnonane (PubChem CID 123984490) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,3,5,6,7,7-hexamethylnonane.

Molecular Properties

Compound Name2,3,5,6,7,7-hexamethylnonane
PubChem CID123984490
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,3,5,6,7,7-hexamethylnonane
SMILESCCC(C)(C)C(C)C(C)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-9-15(7,8)14(6)13(5)10-12(4)11(2)3/h11-14H,9-10H2,1-8H3
InChIKeyQDQVYPGBICJHPK-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,7-hexamethylnonane?
The IUPAC name of 2,3,5,6,7,7-hexamethylnonane (CID 123984490) is 2,3,5,6,7,7-hexamethylnonane.
What is the SMILES notation for 2,3,5,6,7,7-hexamethylnonane?
The canonical SMILES for 2,3,5,6,7,7-hexamethylnonane is CCC(C)(C)C(C)C(C)CC(C)C(C)C.
What is the InChIKey of 2,3,5,6,7,7-hexamethylnonane?
The InChIKey is QDQVYPGBICJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-9-15(7,8)14(6)13(5)10-12(4)11(2)3/h11-14H,9-10H2,1-8H3.
What are the key properties of 2,3,5,6,7,7-hexamethylnonane?
2,3,5,6,7,7-hexamethylnonane has a molecular weight of 212.42 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,7-hexamethylnonane is sourced from PubChem (CID 123984490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).