4,6,8-trimethylundecan-2-yl formate

C15H30O2 — CID 13035164

IUPAC4,6,8-trimethylundecan-2-yl formate
SMILESCCCC(C)CC(C)CC(C)CC(C)OC=O
InChIInChI=1S/C15H30O2/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)17-11-16/h11-15H,6-10H2,1-5H3
InChIKeyZHNKUABLESCWOF-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.43
Rot. Bonds10

About 4,6,8-trimethylundecan-2-yl formate

4,6,8-trimethylundecan-2-yl formate (PubChem CID 13035164) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4,6,8-trimethylundecan-2-yl formate.

Molecular Properties

Compound Name4,6,8-trimethylundecan-2-yl formate
PubChem CID13035164
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4,6,8-trimethylundecan-2-yl formate
SMILESCCCC(C)CC(C)CC(C)CC(C)OC=O
InChIInChI=1S/C15H30O2/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)17-11-16/h11-15H,6-10H2,1-5H3
InChIKeyZHNKUABLESCWOF-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethylundecan-2-yl formate?
The IUPAC name of 4,6,8-trimethylundecan-2-yl formate (CID 13035164) is 4,6,8-trimethylundecan-2-yl formate.
What is the SMILES notation for 4,6,8-trimethylundecan-2-yl formate?
The canonical SMILES for 4,6,8-trimethylundecan-2-yl formate is CCCC(C)CC(C)CC(C)CC(C)OC=O.
What is the InChIKey of 4,6,8-trimethylundecan-2-yl formate?
The InChIKey is ZHNKUABLESCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)17-11-16/h11-15H,6-10H2,1-5H3.
What are the key properties of 4,6,8-trimethylundecan-2-yl formate?
4,6,8-trimethylundecan-2-yl formate has a molecular weight of 242.40 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethylundecan-2-yl formate is sourced from PubChem (CID 13035164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).