1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol

C7H14O4 — CID 118364923

IUPAC1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol
SMILESCOC(C(C)O)C1COCO1
InChIInChI=1S/C7H14O4/c1-5(8)7(9-2)6-3-10-4-11-6/h5-8H,3-4H2,1-2H3
InChIKeyCKVPNQJIIIFOND-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.24
Rot. Bonds3

About 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol

1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol (PubChem CID 118364923) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol
PubChem CID118364923
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol
SMILESCOC(C(C)O)C1COCO1
InChIInChI=1S/C7H14O4/c1-5(8)7(9-2)6-3-10-4-11-6/h5-8H,3-4H2,1-2H3
InChIKeyCKVPNQJIIIFOND-UHFFFAOYSA-N
XLogP-0.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dioxolan-4-ylmethanediol
CID 67191483
ethane;4-propan-2-yl-1,3-dioxolane
CID 142062822
methyl 3-(1,3-dioxolan-4-yl)-2,2-dimethylbutanoate
CID 67182760
(3S)-3-[(4R)-1,3-dioxolan-4-yl]-2-methyl-3-propoxypropanoic acid
CID 138460753
methoxy(oxiran-2-yl)methanol
CID 20559064
1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol
CID 123773680
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
CID 123800024
(2R)-2-[(1R)-1-methoxyethyl]oxirane
CID 124579088
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
(1S,2R)-3-methyl-1-[(2S)-oxiran-2-yl]butane-1,2-diol
CID 130928747
(1S)-2-methyl-1-[(2S)-oxiran-2-yl]propan-1-ol
CID 12636241
2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol
CID 21353691

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol?
The IUPAC name of 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol (CID 118364923) is 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol.
What is the SMILES notation for 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol?
The canonical SMILES for 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol is COC(C(C)O)C1COCO1.
What is the InChIKey of 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol?
The InChIKey is CKVPNQJIIIFOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(8)7(9-2)6-3-10-4-11-6/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol?
1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol has a molecular weight of 162.18 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol is sourced from PubChem (CID 118364923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).