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

C7H12O3 — CID 115094726

IUPAC(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(C2CC2)O1
InChIInChI=1S/C7H12O3/c8-3-6-4-9-7(10-6)5-1-2-5/h5-8H,1-4H2
InChIKeySYWHVIOUJBEOGH-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.13
Rot. Bonds2

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

(2-cyclopropyl-1,3-dioxolan-4-yl)methanol (PubChem CID 115094726) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
PubChem CID115094726
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(C2CC2)O1
InChIInChI=1S/C7H12O3/c8-3-6-4-9-7(10-6)5-1-2-5/h5-8H,1-4H2
InChIKeySYWHVIOUJBEOGH-UHFFFAOYSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
CID 117170053
2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid
CID 117170089
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168464
molecular iodine;oxiran-2-ylmethanol
CID 159687317
1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol
CID 130122273
oxiran-2-ylmethanol;propane
CID 91466926
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane
CID 130608231
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
2-cyclopentyl-1,3-dioxolan-4-ol
CID 67076221

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-cyclopropyl-1,3-dioxolan-4-yl)methanol (CID 115094726) is (2-cyclopropyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-cyclopropyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-cyclopropyl-1,3-dioxolan-4-yl)methanol is OCC1COC(C2CC2)O1.
What is the InChIKey of (2-cyclopropyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is SYWHVIOUJBEOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-3-6-4-9-7(10-6)5-1-2-5/h5-8H,1-4H2.
What are the key properties of (2-cyclopropyl-1,3-dioxolan-4-yl)methanol?
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 144.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 115094726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).