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

C9H16O3 — CID 118513585

IUPAC[3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)C(CO)C1C1COCO1
InChIInChI=1S/C9H16O3/c1-9(2)6(3-10)8(9)7-4-11-5-12-7/h6-8,10H,3-5H2,1-2H3
InChIKeyIHDDASCYTUWPMY-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.62
Rot. Bonds2

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

[3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol (PubChem CID 118513585) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol
PubChem CID118513585
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)C(CO)C1C1COCO1
InChIInChI=1S/C9H16O3/c1-9(2)6(3-10)8(9)7-4-11-5-12-7/h6-8,10H,3-5H2,1-2H3
InChIKeyIHDDASCYTUWPMY-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol (CID 118513585) is [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol is CC1(C)C(CO)C1C1COCO1.
What is the InChIKey of [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is IHDDASCYTUWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(2)6(3-10)8(9)7-4-11-5-12-7/h6-8,10H,3-5H2,1-2H3.
What are the key properties of [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol?
[3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 172.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 118513585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).