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

C9H16O3 — CID 85125788

IUPAC[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
SMILESCC1(C)OCC(C2CC2CO)O1
InChIInChI=1S/C9H16O3/c1-9(2)11-5-8(12-9)7-3-6(7)4-10/h6-8,10H,3-5H2,1-2H3
InChIKeyAUDQJVXATOSXSF-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.77
Rot. Bonds2

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

[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol (PubChem CID 85125788) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
PubChem CID85125788
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
SMILESCC1(C)OCC(C2CC2CO)O1
InChIInChI=1S/C9H16O3/c1-9(2)11-5-8(12-9)7-3-6(7)4-10/h6-8,10H,3-5H2,1-2H3
InChIKeyAUDQJVXATOSXSF-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol
CID 142059683
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495
tert-butyl-[[(1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methoxy]-dimethylsilane
CID 102183768
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
(3aR,4S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 71166935
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 175677124
(4R)-4-[(1S,2S)-2-(2-bromoethynyl)cyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 137440943
trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 158452433
(4aR,7S,7aS)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 102332171
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 55303426
2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6-carboxylic acid
CID 142006736

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
The IUPAC name of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol (CID 85125788) is [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol.
What is the SMILES notation for [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
The canonical SMILES for [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol is CC1(C)OCC(C2CC2CO)O1.
What is the InChIKey of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
The InChIKey is AUDQJVXATOSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(2)11-5-8(12-9)7-3-6(7)4-10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol?
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol has a molecular weight of 172.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 85125788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).