4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one

C9H14O5 — CID 144608908

IUPAC4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC2(CO)CC2)O1
InChIInChI=1S/C9H14O5/c10-5-9(1-2-9)6-12-3-7-4-13-8(11)14-7/h7,10H,1-6H2
InChIKeyADIGRQZBZMMKOV-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.31
Rot. Bonds5

About 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one

4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one (PubChem CID 144608908) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one
PubChem CID144608908
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC2(CO)CC2)O1
InChIInChI=1S/C9H14O5/c10-5-9(1-2-9)6-12-3-7-4-13-8(11)14-7/h7,10H,1-6H2
InChIKeyADIGRQZBZMMKOV-UHFFFAOYSA-N
XLogP0.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one
CID 18702135
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
CID 124674242
4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
CID 154528659
1,1-difluoro-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonic acid
CID 121354726
carbon dioxide;2-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane;bis(4-[[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-2,2-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]propoxy]methyl]-1,3-dioxolan-2-one)
CID 160740961
(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one
CID 97104260
4-[(2,2-difluoro-3-methylbutoxy)methyl]-1,3-dioxolan-2-one
CID 122450409
(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
CID 163561102
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
CID 139535336

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one (CID 144608908) is 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one is O=C1OCC(COCC2(CO)CC2)O1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one?
The InChIKey is ADIGRQZBZMMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c10-5-9(1-2-9)6-12-3-7-4-13-8(11)14-7/h7,10H,1-6H2.
What are the key properties of 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one?
4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 202.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 144608908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).