6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one

C9H14O4 — CID 11183059

IUPAC6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CCCO)O1
InChIInChI=1S/C9H14O4/c1-9(2)12-7(4-3-5-10)6-8(11)13-9/h6,10H,3-5H2,1-2H3
InChIKeyDKUQCYVZCKNFBQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.95
Rot. Bonds3

About 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one

6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11183059) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID11183059
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CCCO)O1
InChIInChI=1S/C9H14O4/c1-9(2)12-7(4-3-5-10)6-8(11)13-9/h6,10H,3-5H2,1-2H3
InChIKeyDKUQCYVZCKNFBQ-UHFFFAOYSA-N
XLogP0.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Xylapyrone F
CID 139587395
Talactone D
CID 156580708
2,2-Dimethyl-6-propyl-1,3-dioxin-4-one
CID 13352900
6-[(2R)-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 130890338
6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10352698
6-(2-Hydroxy-3-buten-1-yl)-2,2-dimethyl-4H-1,3-dioxin-4-one
CID 11106319
6-[(E,6R)-6-hydroxyhept-1-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 14446774
6-(6-Hydroxyhexyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 14962068
6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134930716
6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134965967
6-[(1E,3Z,6R)-6-hydroxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011917
6-(2-Hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 14638421

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one (CID 11183059) is 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CCCO)O1.
What is the InChIKey of 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is DKUQCYVZCKNFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-9(2)12-7(4-3-5-10)6-8(11)13-9/h6,10H,3-5H2,1-2H3.
What are the key properties of 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 186.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11183059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).