(4-propyloxolan-2-yl)methanol

C8H16O2 — CID 130129945

IUPAC(4-propyloxolan-2-yl)methanol
SMILESCCCC1COC(CO)C1
InChIInChI=1S/C8H16O2/c1-2-3-7-4-8(5-9)10-6-7/h7-9H,2-6H2,1H3
InChIKeyIMIZPWQHTVHOMK-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds3

About (4-propyloxolan-2-yl)methanol

(4-propyloxolan-2-yl)methanol (PubChem CID 130129945) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (4-propyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-propyloxolan-2-yl)methanol
PubChem CID130129945
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(4-propyloxolan-2-yl)methanol
SMILESCCCC1COC(CO)C1
InChIInChI=1S/C8H16O2/c1-2-3-7-4-8(5-9)10-6-7/h7-9H,2-6H2,1H3
InChIKeyIMIZPWQHTVHOMK-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propyloxolan-2-yl)methanol?
The IUPAC name of (4-propyloxolan-2-yl)methanol (CID 130129945) is (4-propyloxolan-2-yl)methanol.
What is the SMILES notation for (4-propyloxolan-2-yl)methanol?
The canonical SMILES for (4-propyloxolan-2-yl)methanol is CCCC1COC(CO)C1.
What is the InChIKey of (4-propyloxolan-2-yl)methanol?
The InChIKey is IMIZPWQHTVHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-7-4-8(5-9)10-6-7/h7-9H,2-6H2,1H3.
What are the key properties of (4-propyloxolan-2-yl)methanol?
(4-propyloxolan-2-yl)methanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propyloxolan-2-yl)methanol is sourced from PubChem (CID 130129945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).