2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol

C14H26O5 — CID 123164227

IUPAC2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol
SMILESC=CCC(CO)CC1OC(C)(C)OC1C(OC)OC
InChIInChI=1S/C14H26O5/c1-6-7-10(9-15)8-11-12(13(16-4)17-5)19-14(2,3)18-11/h6,10-13,15H,1,7-9H2,2-5H3
InChIKeyMYAJZGICOJAOLW-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds8

About 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol

2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol (PubChem CID 123164227) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol.

Molecular Properties

Compound Name2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol
PubChem CID123164227
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol
SMILESC=CCC(CO)CC1OC(C)(C)OC1C(OC)OC
InChIInChI=1S/C14H26O5/c1-6-7-10(9-15)8-11-12(13(16-4)17-5)19-14(2,3)18-11/h6,10-13,15H,1,7-9H2,2-5H3
InChIKeyMYAJZGICOJAOLW-UHFFFAOYSA-N
XLogP1.70
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol?
The IUPAC name of 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol (CID 123164227) is 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol.
What is the SMILES notation for 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol?
The canonical SMILES for 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol is C=CCC(CO)CC1OC(C)(C)OC1C(OC)OC.
What is the InChIKey of 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol?
The InChIKey is MYAJZGICOJAOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-6-7-10(9-15)8-11-12(13(16-4)17-5)19-14(2,3)18-11/h6,10-13,15H,1,7-9H2,2-5H3.
What are the key properties of 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol?
2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol has a molecular weight of 274.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol is sourced from PubChem (CID 123164227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).