4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one

C8H14O5 — CID 70218868

IUPAC4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
SMILESCC(O)OCCCC1COC(=O)O1
InChIInChI=1S/C8H14O5/c1-6(9)11-4-2-3-7-5-12-8(10)13-7/h6-7,9H,2-5H2,1H3
InChIKeyMTIHADOVYWZBCE-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.66
Rot. Bonds5

About 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one

4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one (PubChem CID 70218868) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
PubChem CID70218868
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
SMILESCC(O)OCCCC1COC(=O)O1
InChIInChI=1S/C8H14O5/c1-6(9)11-4-2-3-7-5-12-8(10)13-7/h6-7,9H,2-5H2,1H3
InChIKeyMTIHADOVYWZBCE-UHFFFAOYSA-N
XLogP0.66
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-butyl-1,3-dioxolan-2-one
CID 162009451
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
CID 165178075
1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium
CID 142966378
4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one
CID 167194592
5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate
CID 59566554
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one (CID 70218868) is 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one is CC(O)OCCCC1COC(=O)O1.
What is the InChIKey of 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one?
The InChIKey is MTIHADOVYWZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-6(9)11-4-2-3-7-5-12-8(10)13-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one?
4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one has a molecular weight of 190.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 70218868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).