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

C8H14O3 — CID 86244700

IUPAC(2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C2CC2)OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-8(6-2-3-6)10-5-7(4-9)11-8/h6-7,9H,2-5H2,1H3
InChIKeyKHUIKKCHZFNKPQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.52
Rot. Bonds2

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

(2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol (PubChem CID 86244700) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol
PubChem CID86244700
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C2CC2)OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-8(6-2-3-6)10-5-7(4-9)11-8/h6-7,9H,2-5H2,1H3
InChIKeyKHUIKKCHZFNKPQ-UHFFFAOYSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol (CID 86244700) is (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol is CC1(C2CC2)OCC(CO)O1.
What is the InChIKey of (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is KHUIKKCHZFNKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(6-2-3-6)10-5-7(4-9)11-8/h6-7,9H,2-5H2,1H3.
What are the key properties of (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol?
(2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-2-methyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 86244700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).