6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one

C12H18O5 — CID 10586238

IUPAC6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CCCC2OCCO2)O1
InChIInChI=1S/C12H18O5/c1-12(2)16-9(8-10(13)17-12)4-3-5-11-14-6-7-15-11/h8,11H,3-7H2,1-2H3
InChIKeyMYYVLYMUBNYGIC-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.72
Rot. Bonds4

About 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 10586238) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID10586238
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CCCC2OCCO2)O1
InChIInChI=1S/C12H18O5/c1-12(2)16-9(8-10(13)17-12)4-3-5-11-14-6-7-15-11/h8,11H,3-7H2,1-2H3
InChIKeyMYYVLYMUBNYGIC-UHFFFAOYSA-N
XLogP1.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-(1,3-dioxolan-2-yl)propyl]-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

methyl (2Z,6Z)-9-(1,3-dioxolan-2-yl)-3,7-dimethylnona-2,6-dienoate
CID 52920533
methyl (2Z)-2-(2,5-dipropyl-1,3-dioxolan-4-ylidene)acetate
CID 101153857
methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate
CID 101153860
methyl (2Z)-2-[2,5-bis(2-methylpropyl)-1,3-dioxolan-4-ylidene]acetate
CID 101153861
5-[2-(1,3-Dioxolan-2-yl)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 10705326
3-[2-(1,3-dioxolan-2-yl)ethyl]-2H-furan-5-one
CID 86176939
2,2-di(cyclopenten-1-yloxy)ethyl (E)-but-2-enoate
CID 68643706
2,2-Di(cyclopenten-1-yloxy)ethyl but-2-enoate
CID 68643707
Ethyl 2-(oxan-2-yloxy)hex-2-enoate
CID 69932985
ethyl 2-[(2R)-oxan-2-yl]oxyhex-2-enoate
CID 69932986
ethyl (E)-2-[(2R)-oxan-2-yl]oxyhex-2-enoate
CID 88059649
methyl 2-[(2S)-oxan-2-yl]oxypent-2-enoate
CID 153908977

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 10586238) is 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CCCC2OCCO2)O1.
What is the InChIKey of 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is MYYVLYMUBNYGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-12(2)16-9(8-10(13)17-12)4-3-5-11-14-6-7-15-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 242.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10586238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).