[1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol

C9H16O3 — CID 118513632

IUPAC[1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
SMILESCC1(C)OCC(C2(CO)CC2)O1
InChIInChI=1S/C9H16O3/c1-8(2)11-5-7(12-8)9(6-10)3-4-9/h7,10H,3-6H2,1-2H3
InChIKeyZVRMWGSWUZYPNW-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds2

About [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol

[1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol (PubChem CID 118513632) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
PubChem CID118513632
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
SMILESCC1(C)OCC(C2(CO)CC2)O1
InChIInChI=1S/C9H16O3/c1-8(2)11-5-7(12-8)9(6-10)3-4-9/h7,10H,3-6H2,1-2H3
InChIKeyZVRMWGSWUZYPNW-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

[1-(2-Methyl-1,3-dioxolan-2-yl)cyclopropyl]methanol
CID 22042312
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methylpropan-1-ol
CID 12241296
[2-Tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 2829038
2-(2,2,5,5-Tetramethyl-1,3-dioxolan-4-yl)ethanol
CID 13741354
2-((S)-2,2,5,5-tetramethyl-[1,3]dioxolan-4-yl)-ethanol
CID 67299483
7-Hydroxy-4,6-di-t-butyl-2,2-dimethyl-1,3-dioxolan
CID 129818689
[(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 774794
(2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 14862374
(2S,3S,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 21587266
(R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylpropan-1-ol
CID 12241295
2-(4-Ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
CID 20232750
1-(2-Methyl-1,3-dioxolan-2-yl)cyclopropanethanol
CID 22042297

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
The IUPAC name of [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol (CID 118513632) is [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol is CC1(C)OCC(C2(CO)CC2)O1.
What is the InChIKey of [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
The InChIKey is ZVRMWGSWUZYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(2)11-5-7(12-8)9(6-10)3-4-9/h7,10H,3-6H2,1-2H3.
What are the key properties of [1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
[1-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol 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-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 118513632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).