(2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol

C15H28O4 — CID 126599266

IUPAC(2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol
SMILESC=CC(C)C(C)[C@@H]1O[C@H](COC)C(OCCC)C1O
InChIInChI=1S/C15H28O4/c1-6-8-18-15-12(9-17-5)19-14(13(15)16)11(4)10(3)7-2/h7,10-16H,2,6,8-9H2,1,3-5H3/t10?,11?,12-,13?,14+,15?/m1/s1
InChIKeyLBJPFNAAQHCYAP-VXXTVXJKSA-N
MW272.38 g/mol
LogP2.01
Rot. Bonds8

About (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol

(2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol (PubChem CID 126599266) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol
PubChem CID126599266
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol
SMILESC=CC(C)C(C)[C@@H]1O[C@H](COC)C(OCCC)C1O
InChIInChI=1S/C15H28O4/c1-6-8-18-15-12(9-17-5)19-14(13(15)16)11(4)10(3)7-2/h7,10-16H,2,6,8-9H2,1,3-5H3/t10?,11?,12-,13?,14+,15?/m1/s1
InChIKeyLBJPFNAAQHCYAP-VXXTVXJKSA-N
XLogP2.01
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol?
The IUPAC name of (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol (CID 126599266) is (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol.
What is the SMILES notation for (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol?
The canonical SMILES for (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol is C=CC(C)C(C)[C@@H]1O[C@H](COC)C(OCCC)C1O.
What is the InChIKey of (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol?
The InChIKey is LBJPFNAAQHCYAP-VXXTVXJKSA-N. The full InChI is InChI=1S/C15H28O4/c1-6-8-18-15-12(9-17-5)19-14(13(15)16)11(4)10(3)7-2/h7,10-16H,2,6,8-9H2,1,3-5H3/t10?,11?,12-,13?,14+,15?/m1/s1.
What are the key properties of (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol?
(2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol has a molecular weight of 272.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol is sourced from PubChem (CID 126599266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).