[4-(hydroxymethyl)oxan-4-yl]methanol

C7H14O3 — CID 19858285

IUPAC[4-(hydroxymethyl)oxan-4-yl]methanol
SMILESOCC1(CO)CCOCC1
InChIInChI=1S/C7H14O3/c8-5-7(6-9)1-3-10-4-2-7/h8-9H,1-6H2
InChIKeyNKSPVEFJJKKISK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.23
Rot. Bonds2

About [4-(hydroxymethyl)oxan-4-yl]methanol

[4-(hydroxymethyl)oxan-4-yl]methanol (PubChem CID 19858285) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is [4-(hydroxymethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)oxan-4-yl]methanol
PubChem CID19858285
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name[4-(hydroxymethyl)oxan-4-yl]methanol
SMILESOCC1(CO)CCOCC1
InChIInChI=1S/C7H14O3/c8-5-7(6-9)1-3-10-4-2-7/h8-9H,1-6H2
InChIKeyNKSPVEFJJKKISK-UHFFFAOYSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)oxan-4-yl]methanol (CID 19858285) is [4-(hydroxymethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)oxan-4-yl]methanol is OCC1(CO)CCOCC1.
What is the InChIKey of [4-(hydroxymethyl)oxan-4-yl]methanol?
The InChIKey is NKSPVEFJJKKISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-5-7(6-9)1-3-10-4-2-7/h8-9H,1-6H2.
What are the key properties of [4-(hydroxymethyl)oxan-4-yl]methanol?
[4-(hydroxymethyl)oxan-4-yl]methanol has a molecular weight of 146.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)oxan-4-yl]methanol is sourced from PubChem (CID 19858285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).