oxan-4-ylmethanol;propane

C9H20O2 — CID 144745380

IUPACoxan-4-ylmethanol;propane
SMILESCCC.OCC1CCOCC1
InChIInChI=1S/C6H12O2.C3H8/c7-5-6-1-3-8-4-2-6;1-3-2/h6-7H,1-5H2;3H2,1-2H3
InChIKeyFUWYDLBAJMFKEG-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds1

About oxan-4-ylmethanol;propane

oxan-4-ylmethanol;propane (PubChem CID 144745380) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is oxan-4-ylmethanol;propane.

Molecular Properties

Compound Nameoxan-4-ylmethanol;propane
PubChem CID144745380
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Nameoxan-4-ylmethanol;propane
SMILESCCC.OCC1CCOCC1
InChIInChI=1S/C6H12O2.C3H8/c7-5-6-1-3-8-4-2-6;1-3-2/h6-7H,1-5H2;3H2,1-2H3
InChIKeyFUWYDLBAJMFKEG-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethanol;propane?
The IUPAC name of oxan-4-ylmethanol;propane (CID 144745380) is oxan-4-ylmethanol;propane.
What is the SMILES notation for oxan-4-ylmethanol;propane?
The canonical SMILES for oxan-4-ylmethanol;propane is CCC.OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethanol;propane?
The InChIKey is FUWYDLBAJMFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C3H8/c7-5-6-1-3-8-4-2-6;1-3-2/h6-7H,1-5H2;3H2,1-2H3.
What are the key properties of oxan-4-ylmethanol;propane?
oxan-4-ylmethanol;propane has a molecular weight of 160.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethanol;propane is sourced from PubChem (CID 144745380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).