(2R)-2-methyl-2-octyloxolane

C13H26O — CID 138962700

IUPAC(2R)-2-methyl-2-octyloxolane
SMILESCCCCCCCC[C@]1(C)CCCO1
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-10-13(2)11-9-12-14-13/h3-12H2,1-2H3/t13-/m1/s1
InChIKeyZDKNVOMMEZMSOE-CYBMUJFWSA-N
MW198.35 g/mol
LogP4.31
Rot. Bonds7

About (2R)-2-methyl-2-octyloxolane

(2R)-2-methyl-2-octyloxolane (PubChem CID 138962700) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2R)-2-methyl-2-octyloxolane.

Molecular Properties

Compound Name(2R)-2-methyl-2-octyloxolane
PubChem CID138962700
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2R)-2-methyl-2-octyloxolane
SMILESCCCCCCCC[C@]1(C)CCCO1
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-10-13(2)11-9-12-14-13/h3-12H2,1-2H3/t13-/m1/s1
InChIKeyZDKNVOMMEZMSOE-CYBMUJFWSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.31
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-methyl-2-octyloxolane?
The IUPAC name of (2R)-2-methyl-2-octyloxolane (CID 138962700) is (2R)-2-methyl-2-octyloxolane.
What is the SMILES notation for (2R)-2-methyl-2-octyloxolane?
The canonical SMILES for (2R)-2-methyl-2-octyloxolane is CCCCCCCC[C@]1(C)CCCO1.
What is the InChIKey of (2R)-2-methyl-2-octyloxolane?
The InChIKey is ZDKNVOMMEZMSOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-7-8-10-13(2)11-9-12-14-13/h3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-2-octyloxolane?
(2R)-2-methyl-2-octyloxolane has a molecular weight of 198.35 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-octyloxolane is sourced from PubChem (CID 138962700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).