2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol

C14H26O4 — CID 167263639

IUPAC2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol
SMILESC=C1CCC(CCCO)O[C@@H]1CCOC(C)(C)O
InChIInChI=1S/C14H26O4/c1-11-6-7-12(5-4-9-15)18-13(11)8-10-17-14(2,3)16/h12-13,15-16H,1,4-10H2,2-3H3/t12?,13-/m1/s1
InChIKeyXERNYFFBAWFUQN-ZGTCLIOFSA-N
MW258.36 g/mol
LogP2.00
Rot. Bonds7

About 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol

2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol (PubChem CID 167263639) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol
PubChem CID167263639
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol
SMILESC=C1CCC(CCCO)O[C@@H]1CCOC(C)(C)O
InChIInChI=1S/C14H26O4/c1-11-6-7-12(5-4-9-15)18-13(11)8-10-17-14(2,3)16/h12-13,15-16H,1,4-10H2,2-3H3/t12?,13-/m1/s1
InChIKeyXERNYFFBAWFUQN-ZGTCLIOFSA-N
XLogP2.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol?
The IUPAC name of 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol (CID 167263639) is 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol.
What is the SMILES notation for 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol?
The canonical SMILES for 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol is C=C1CCC(CCCO)O[C@@H]1CCOC(C)(C)O.
What is the InChIKey of 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol?
The InChIKey is XERNYFFBAWFUQN-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H26O4/c1-11-6-7-12(5-4-9-15)18-13(11)8-10-17-14(2,3)16/h12-13,15-16H,1,4-10H2,2-3H3/t12?,13-/m1/s1.
What are the key properties of 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol?
2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol has a molecular weight of 258.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol is sourced from PubChem (CID 167263639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).