[(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate

C15H30O2 — CID 139247131

IUPAC[(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate
SMILESCC(C)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)OC=O
InChIInChI=1S/C15H30O2/c1-11(2)14(5)8-12(3)7-13(4)9-15(6)17-10-16/h10-15H,7-9H2,1-6H3/t12-,13+,14-,15+/m0/s1
InChIKeyMBUSBDAHLOPOPG-LJISPDSOSA-N
MW242.40 g/mol
LogP4.28
Rot. Bonds9

About [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate

[(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate (PubChem CID 139247131) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate.

Molecular Properties

Compound Name[(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate
PubChem CID139247131
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name[(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate
SMILESCC(C)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)OC=O
InChIInChI=1S/C15H30O2/c1-11(2)14(5)8-12(3)7-13(4)9-15(6)17-10-16/h10-15H,7-9H2,1-6H3/t12-,13+,14-,15+/m0/s1
InChIKeyMBUSBDAHLOPOPG-LJISPDSOSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.28
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 [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate?
The IUPAC name of [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate (CID 139247131) is [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate.
What is the SMILES notation for [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate?
The canonical SMILES for [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate is CC(C)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)OC=O.
What is the InChIKey of [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate?
The InChIKey is MBUSBDAHLOPOPG-LJISPDSOSA-N. The full InChI is InChI=1S/C15H30O2/c1-11(2)14(5)8-12(3)7-13(4)9-15(6)17-10-16/h10-15H,7-9H2,1-6H3/t12-,13+,14-,15+/m0/s1.
What are the key properties of [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate?
[(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate has a molecular weight of 242.40 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,6S,8S)-4,6,8,9-tetramethyldecan-2-yl] formate is sourced from PubChem (CID 139247131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).