4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol

C12H22O3 — CID 58822546

IUPAC4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)C1OC(C)OCC1C
InChIInChI=1S/C12H22O3/c1-7(2)11(13)9(4)12-8(3)6-14-10(5)15-12/h8-13H,1,6H2,2-5H3
InChIKeyRCJGSGFCZCTJLP-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.96
Rot. Bonds3

About 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol

4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol (PubChem CID 58822546) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol
PubChem CID58822546
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)C1OC(C)OCC1C
InChIInChI=1S/C12H22O3/c1-7(2)11(13)9(4)12-8(3)6-14-10(5)15-12/h8-13H,1,6H2,2-5H3
InChIKeyRCJGSGFCZCTJLP-UHFFFAOYSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol?
The IUPAC name of 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol (CID 58822546) is 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol?
The canonical SMILES for 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol is C=C(C)C(O)C(C)C1OC(C)OCC1C.
What is the InChIKey of 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol?
The InChIKey is RCJGSGFCZCTJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-7(2)11(13)9(4)12-8(3)6-14-10(5)15-12/h8-13H,1,6H2,2-5H3.
What are the key properties of 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol?
4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol has a molecular weight of 214.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol is sourced from PubChem (CID 58822546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).