[(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol

C19H36O2 — CID 10827809

IUPAC[(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol
SMILESC=C1CO[C@H](CCCCCCCCCCCCC)[C@H]1CO
InChIInChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-18(15-20)17(2)16-21-19/h18-20H,2-16H2,1H3/t18-,19+/m0/s1
InChIKeyOXCUWIZRPSJPSP-RBUKOAKNSA-N
MW296.50 g/mol
LogP5.25
Rot. Bonds13

About [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol

[(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol (PubChem CID 10827809) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol
PubChem CID10827809
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name[(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol
SMILESC=C1CO[C@H](CCCCCCCCCCCCC)[C@H]1CO
InChIInChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-18(15-20)17(2)16-21-19/h18-20H,2-16H2,1H3/t18-,19+/m0/s1
InChIKeyOXCUWIZRPSJPSP-RBUKOAKNSA-N
XLogP5.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol?
The IUPAC name of [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol (CID 10827809) is [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol.
What is the SMILES notation for [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol?
The canonical SMILES for [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol is C=C1CO[C@H](CCCCCCCCCCCCC)[C@H]1CO.
What is the InChIKey of [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol?
The InChIKey is OXCUWIZRPSJPSP-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-18(15-20)17(2)16-21-19/h18-20H,2-16H2,1H3/t18-,19+/m0/s1.
What are the key properties of [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol?
[(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol has a molecular weight of 296.50 g/mol, XLogP of 5.25, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol is sourced from PubChem (CID 10827809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).