(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol

C14H24O5 — CID 5469853

IUPAC(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol
SMILESCC1(C)OCC(/C=C\C(O)CC2(C)OCCO2)CO1
InChIInChI=1S/C14H24O5/c1-13(2)18-9-11(10-19-13)4-5-12(15)8-14(3)16-6-7-17-14/h4-5,11-12,15H,6-10H2,1-3H3/b5-4-
InChIKeyTYVJEJZYENCTEN-PLNGDYQASA-N
MW272.34 g/mol
LogP1.46
Rot. Bonds4

About (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol

(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol (PubChem CID 5469853) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol
PubChem CID5469853
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol
SMILESCC1(C)OCC(/C=C\C(O)CC2(C)OCCO2)CO1
InChIInChI=1S/C14H24O5/c1-13(2)18-9-11(10-19-13)4-5-12(15)8-14(3)16-6-7-17-14/h4-5,11-12,15H,6-10H2,1-3H3/b5-4-
InChIKeyTYVJEJZYENCTEN-PLNGDYQASA-N
XLogP1.46
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol?
The IUPAC name of (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol (CID 5469853) is (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol.
What is the SMILES notation for (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol?
The canonical SMILES for (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol is CC1(C)OCC(/C=C\C(O)CC2(C)OCCO2)CO1.
What is the InChIKey of (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol?
The InChIKey is TYVJEJZYENCTEN-PLNGDYQASA-N. The full InChI is InChI=1S/C14H24O5/c1-13(2)18-9-11(10-19-13)4-5-12(15)8-14(3)16-6-7-17-14/h4-5,11-12,15H,6-10H2,1-3H3/b5-4-.
What are the key properties of (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol?
(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol has a molecular weight of 272.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol is sourced from PubChem (CID 5469853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).