(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol

C18H36O6 — CID 20739031

IUPAC(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol
SMILESCCCCCO[C@H]1C(OC(C)C)O[C@H](COC)[C@@H](O)[C@@H]1OCCC
InChIInChI=1S/C18H36O6/c1-6-8-9-11-22-17-16(21-10-7-2)15(19)14(12-20-5)24-18(17)23-13(3)4/h13-19H,6-12H2,1-5H3/t14-,15-,16+,17-,18?/m1/s1
InChIKeyFSIHQRZUISNDKR-IHAUNJBESA-N
MW348.48 g/mol
LogP2.51
Rot. Bonds12

About (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol

(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol (PubChem CID 20739031) has the molecular formula C18H36O6 and a molecular weight of 348.48 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol
PubChem CID20739031
Molecular FormulaC18H36O6
Molecular Weight348.48 g/mol
Exact Mass348.25
IUPAC Name(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol
SMILESCCCCCO[C@H]1C(OC(C)C)O[C@H](COC)[C@@H](O)[C@@H]1OCCC
InChIInChI=1S/C18H36O6/c1-6-8-9-11-22-17-16(21-10-7-2)15(19)14(12-20-5)24-18(17)23-13(3)4/h13-19H,6-12H2,1-5H3/t14-,15-,16+,17-,18?/m1/s1
InChIKeyFSIHQRZUISNDKR-IHAUNJBESA-N
XLogP2.51
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol (CID 20739031) is (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol is CCCCCO[C@H]1C(OC(C)C)O[C@H](COC)[C@@H](O)[C@@H]1OCCC.
What is the InChIKey of (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol?
The InChIKey is FSIHQRZUISNDKR-IHAUNJBESA-N. The full InChI is InChI=1S/C18H36O6/c1-6-8-9-11-22-17-16(21-10-7-2)15(19)14(12-20-5)24-18(17)23-13(3)4/h13-19H,6-12H2,1-5H3/t14-,15-,16+,17-,18?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol?
(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol has a molecular weight of 348.48 g/mol, XLogP of 2.51, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol is sourced from PubChem (CID 20739031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).