(3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane

C18H32O5 — CID 10860446

IUPAC(3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane
SMILESC=CCCCCO[C@@H]1C(OC)OC(OC)[C@@H]1OCCCCC=C
InChIInChI=1S/C18H32O5/c1-5-7-9-11-13-21-15-16(22-14-12-10-8-6-2)18(20-4)23-17(15)19-3/h5-6,15-18H,1-2,7-14H2,3-4H3/t15-,16+,17?,18?
InChIKeyMEMLAEUODWERCS-OQSMONGASA-N
MW328.45 g/mol
LogP3.44
Rot. Bonds14

About (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane

(3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane (PubChem CID 10860446) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane.

Molecular Properties

Compound Name(3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane
PubChem CID10860446
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name(3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane
SMILESC=CCCCCO[C@@H]1C(OC)OC(OC)[C@@H]1OCCCCC=C
InChIInChI=1S/C18H32O5/c1-5-7-9-11-13-21-15-16(22-14-12-10-8-6-2)18(20-4)23-17(15)19-3/h5-6,15-18H,1-2,7-14H2,3-4H3/t15-,16+,17?,18?
InChIKeyMEMLAEUODWERCS-OQSMONGASA-N
XLogP3.44
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane?
The IUPAC name of (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane (CID 10860446) is (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane.
What is the SMILES notation for (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane?
The canonical SMILES for (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane is C=CCCCCO[C@@H]1C(OC)OC(OC)[C@@H]1OCCCCC=C.
What is the InChIKey of (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane?
The InChIKey is MEMLAEUODWERCS-OQSMONGASA-N. The full InChI is InChI=1S/C18H32O5/c1-5-7-9-11-13-21-15-16(22-14-12-10-8-6-2)18(20-4)23-17(15)19-3/h5-6,15-18H,1-2,7-14H2,3-4H3/t15-,16+,17?,18?.
What are the key properties of (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane?
(3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane has a molecular weight of 328.45 g/mol, XLogP of 3.44, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-bis(hex-5-enoxy)-2,5-dimethoxyoxolane is sourced from PubChem (CID 10860446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).