2,3,3,5,7-pentamethyloctane

C13H28 — CID 57491096

IUPAC2,3,3,5,7-pentamethyloctane
SMILESCC(C)CC(C)CC(C)(C)C(C)C
InChIInChI=1S/C13H28/c1-10(2)8-12(5)9-13(6,7)11(3)4/h10-12H,8-9H2,1-7H3
InChIKeyBTJODJQPYSSVHA-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.74
Rot. Bonds5

About 2,3,3,5,7-pentamethyloctane

2,3,3,5,7-pentamethyloctane (PubChem CID 57491096) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,3,3,5,7-pentamethyloctane.

Molecular Properties

Compound Name2,3,3,5,7-pentamethyloctane
PubChem CID57491096
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,3,3,5,7-pentamethyloctane
SMILESCC(C)CC(C)CC(C)(C)C(C)C
InChIInChI=1S/C13H28/c1-10(2)8-12(5)9-13(6,7)11(3)4/h10-12H,8-9H2,1-7H3
InChIKeyBTJODJQPYSSVHA-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4,6,8-trimethylnonan-4-ol
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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5,7-pentamethyloctane?
The IUPAC name of 2,3,3,5,7-pentamethyloctane (CID 57491096) is 2,3,3,5,7-pentamethyloctane.
What is the SMILES notation for 2,3,3,5,7-pentamethyloctane?
The canonical SMILES for 2,3,3,5,7-pentamethyloctane is CC(C)CC(C)CC(C)(C)C(C)C.
What is the InChIKey of 2,3,3,5,7-pentamethyloctane?
The InChIKey is BTJODJQPYSSVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-10(2)8-12(5)9-13(6,7)11(3)4/h10-12H,8-9H2,1-7H3.
What are the key properties of 2,3,3,5,7-pentamethyloctane?
2,3,3,5,7-pentamethyloctane has a molecular weight of 184.37 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,7-pentamethyloctane is sourced from PubChem (CID 57491096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).