2-propyloxan-3-ol

C8H16O2 — CID 541755

IUPAC2-propyloxan-3-ol
SMILESCCCC1OCCCC1O
InChIInChI=1S/C8H16O2/c1-2-4-8-7(9)5-3-6-10-8/h7-9H,2-6H2,1H3
InChIKeySMMBPJGNKCWQPY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds2

About 2-propyloxan-3-ol

2-propyloxan-3-ol (PubChem CID 541755) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-propyloxan-3-ol.

Molecular Properties

Compound Name2-propyloxan-3-ol
PubChem CID541755
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-propyloxan-3-ol
SMILESCCCC1OCCCC1O
InChIInChI=1S/C8H16O2/c1-2-4-8-7(9)5-3-6-10-8/h7-9H,2-6H2,1H3
InChIKeySMMBPJGNKCWQPY-UHFFFAOYSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyloxan-3-ol?
The IUPAC name of 2-propyloxan-3-ol (CID 541755) is 2-propyloxan-3-ol.
What is the SMILES notation for 2-propyloxan-3-ol?
The canonical SMILES for 2-propyloxan-3-ol is CCCC1OCCCC1O.
What is the InChIKey of 2-propyloxan-3-ol?
The InChIKey is SMMBPJGNKCWQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-4-8-7(9)5-3-6-10-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-propyloxan-3-ol?
2-propyloxan-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyloxan-3-ol is sourced from PubChem (CID 541755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).