(1-hydroxycyclopropyl)methyl propan-2-yl carbonate

C8H14O4 — CID 141497433

IUPAC(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCC1(O)CC1
InChIInChI=1S/C8H14O4/c1-6(2)12-7(9)11-5-8(10)3-4-8/h6,10H,3-5H2,1-2H3
InChIKeyIOIGHQJJTSOPLF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.07
Rot. Bonds3

About (1-hydroxycyclopropyl)methyl propan-2-yl carbonate

(1-hydroxycyclopropyl)methyl propan-2-yl carbonate (PubChem CID 141497433) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1-hydroxycyclopropyl)methyl propan-2-yl carbonate.

Molecular Properties

Compound Name(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
PubChem CID141497433
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCC1(O)CC1
InChIInChI=1S/C8H14O4/c1-6(2)12-7(9)11-5-8(10)3-4-8/h6,10H,3-5H2,1-2H3
InChIKeyIOIGHQJJTSOPLF-UHFFFAOYSA-N
XLogP1.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopropyl)methyl propan-2-yl carbonate?
The IUPAC name of (1-hydroxycyclopropyl)methyl propan-2-yl carbonate (CID 141497433) is (1-hydroxycyclopropyl)methyl propan-2-yl carbonate.
What is the SMILES notation for (1-hydroxycyclopropyl)methyl propan-2-yl carbonate?
The canonical SMILES for (1-hydroxycyclopropyl)methyl propan-2-yl carbonate is CC(C)OC(=O)OCC1(O)CC1.
What is the InChIKey of (1-hydroxycyclopropyl)methyl propan-2-yl carbonate?
The InChIKey is IOIGHQJJTSOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(2)12-7(9)11-5-8(10)3-4-8/h6,10H,3-5H2,1-2H3.
What are the key properties of (1-hydroxycyclopropyl)methyl propan-2-yl carbonate?
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate has a molecular weight of 174.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopropyl)methyl propan-2-yl carbonate is sourced from PubChem (CID 141497433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).