(2R)-2-decyl-2-methyloxane

C16H32O — CID 155934446

IUPAC(2R)-2-decyl-2-methyloxane
SMILESCCCCCCCCCC[C@]1(C)CCCCO1
InChIInChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15-17-16/h3-15H2,1-2H3/t16-/m1/s1
InChIKeyICLPIBKOCHMBOL-MRXNPFEDSA-N
MW240.43 g/mol
LogP5.48
Rot. Bonds9

About (2R)-2-decyl-2-methyloxane

(2R)-2-decyl-2-methyloxane (PubChem CID 155934446) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (2R)-2-decyl-2-methyloxane.

Molecular Properties

Compound Name(2R)-2-decyl-2-methyloxane
PubChem CID155934446
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(2R)-2-decyl-2-methyloxane
SMILESCCCCCCCCCC[C@]1(C)CCCCO1
InChIInChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15-17-16/h3-15H2,1-2H3/t16-/m1/s1
InChIKeyICLPIBKOCHMBOL-MRXNPFEDSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-decyl-2-methyloxane?
The IUPAC name of (2R)-2-decyl-2-methyloxane (CID 155934446) is (2R)-2-decyl-2-methyloxane.
What is the SMILES notation for (2R)-2-decyl-2-methyloxane?
The canonical SMILES for (2R)-2-decyl-2-methyloxane is CCCCCCCCCC[C@]1(C)CCCCO1.
What is the InChIKey of (2R)-2-decyl-2-methyloxane?
The InChIKey is ICLPIBKOCHMBOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15-17-16/h3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-decyl-2-methyloxane?
(2R)-2-decyl-2-methyloxane has a molecular weight of 240.43 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-decyl-2-methyloxane is sourced from PubChem (CID 155934446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).