(2R)-2-decoxyoxan-3-ol

C15H30O3 — CID 164930030

IUPAC(2R)-2-decoxyoxan-3-ol
SMILESCCCCCCCCCCO[C@@H]1OCCCC1O
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-12-17-15-14(16)11-10-13-18-15/h14-16H,2-13H2,1H3/t14?,15-/m1/s1
InChIKeyFMEMTTBBEYSHQV-YSSOQSIOSA-N
MW258.40 g/mol
LogP3.64
Rot. Bonds10

About (2R)-2-decoxyoxan-3-ol

(2R)-2-decoxyoxan-3-ol (PubChem CID 164930030) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (2R)-2-decoxyoxan-3-ol.

Molecular Properties

Compound Name(2R)-2-decoxyoxan-3-ol
PubChem CID164930030
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(2R)-2-decoxyoxan-3-ol
SMILESCCCCCCCCCCO[C@@H]1OCCCC1O
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-12-17-15-14(16)11-10-13-18-15/h14-16H,2-13H2,1H3/t14?,15-/m1/s1
InChIKeyFMEMTTBBEYSHQV-YSSOQSIOSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-decoxyoxan-3-ol?
The IUPAC name of (2R)-2-decoxyoxan-3-ol (CID 164930030) is (2R)-2-decoxyoxan-3-ol.
What is the SMILES notation for (2R)-2-decoxyoxan-3-ol?
The canonical SMILES for (2R)-2-decoxyoxan-3-ol is CCCCCCCCCCO[C@@H]1OCCCC1O.
What is the InChIKey of (2R)-2-decoxyoxan-3-ol?
The InChIKey is FMEMTTBBEYSHQV-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-12-17-15-14(16)11-10-13-18-15/h14-16H,2-13H2,1H3/t14?,15-/m1/s1.
What are the key properties of (2R)-2-decoxyoxan-3-ol?
(2R)-2-decoxyoxan-3-ol has a molecular weight of 258.40 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-decoxyoxan-3-ol is sourced from PubChem (CID 164930030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).