oxan-4-ylmethanol

C6H12O2 — CID 2773573

IUPACoxan-4-ylmethanol
SMILESOCC1CCOCC1
InChIInChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChIKeyYSNVSVCWTBLLRW-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.41
Rot. Bonds1

About oxan-4-ylmethanol

oxan-4-ylmethanol (PubChem CID 2773573) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is oxan-4-ylmethanol.

Molecular Properties

Compound Nameoxan-4-ylmethanol
PubChem CID2773573
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Nameoxan-4-ylmethanol
SMILESOCC1CCOCC1
InChIInChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChIKeyYSNVSVCWTBLLRW-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-4-ylmethanol;oxolan-3-ylmethanol
CID 159525892
oxepan-4-ylmethanol
CID 21094265
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906
dihydroxy(oxo)silane;oxolan-3-ylmethanol
CID 70548598
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
[3-(oxan-4-ylamino)cyclobutyl]methanol
CID 164662174
2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450518
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 115277339
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
2-(oxan-4-ylmethyl)prop-2-en-1-ol
CID 117266654
1,4-dioxepan-6-ylmethanol
CID 67454962

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethanol?
The IUPAC name of oxan-4-ylmethanol (CID 2773573) is oxan-4-ylmethanol.
What is the SMILES notation for oxan-4-ylmethanol?
The canonical SMILES for oxan-4-ylmethanol is OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethanol?
The InChIKey is YSNVSVCWTBLLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2.
What are the key properties of oxan-4-ylmethanol?
oxan-4-ylmethanol has a molecular weight of 116.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethanol is sourced from PubChem (CID 2773573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).