1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol

C9H16O3 — CID 130128243

IUPAC1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
SMILESCC(O)C1(C2(C)OCCO2)CC1
InChIInChI=1S/C9H16O3/c1-7(10)9(3-4-9)8(2)11-5-6-12-8/h7,10H,3-6H2,1-2H3
InChIKeyDSEINJUVNIPBFE-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds2

About 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol

1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol (PubChem CID 130128243) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
PubChem CID130128243
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
SMILESCC(O)C1(C2(C)OCCO2)CC1
InChIInChI=1S/C9H16O3/c1-7(10)9(3-4-9)8(2)11-5-6-12-8/h7,10H,3-6H2,1-2H3
InChIKeyDSEINJUVNIPBFE-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
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CID 68634857
1-(2-methylmorpholin-2-yl)ethanol
CID 133188569
1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
CID 79119752
8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
CID 155319961
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
CID 130866295
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
2-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol
CID 59735081
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835
3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
CID 71381727

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol (CID 130128243) is 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol is CC(O)C1(C2(C)OCCO2)CC1.
What is the InChIKey of 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
The InChIKey is DSEINJUVNIPBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(10)9(3-4-9)8(2)11-5-6-12-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol is sourced from PubChem (CID 130128243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).