7-(hydroxymethyl)oxepan-4-ol

C7H14O3 — CID 123972683

IUPAC7-(hydroxymethyl)oxepan-4-ol
SMILESOCC1CCC(O)CCO1
InChIInChI=1S/C7H14O3/c8-5-7-2-1-6(9)3-4-10-7/h6-9H,1-5H2
InChIKeyCAGWJBNAEPYKGP-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds1

About 7-(hydroxymethyl)oxepan-4-ol

7-(hydroxymethyl)oxepan-4-ol (PubChem CID 123972683) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 7-(hydroxymethyl)oxepan-4-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)oxepan-4-ol
PubChem CID123972683
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name7-(hydroxymethyl)oxepan-4-ol
SMILESOCC1CCC(O)CCO1
InChIInChI=1S/C7H14O3/c8-5-7-2-1-6(9)3-4-10-7/h6-9H,1-5H2
InChIKeyCAGWJBNAEPYKGP-UHFFFAOYSA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(hydroxymethyl)oxepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Oxepan-2-yl)methanol
CID 15184747
(6r)-1,6-Anhydro-2-O-Heptyl-6-(Hydroxymethyl)-D-Galactitol
CID 121231458
beta-D-galactosyl
CID 3816043
2,6-Bis-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
CID 4670797
(1S)-1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol
CID 44264633
(R)-2-Hydroxymethyl-6-methyl-tetrahydro-pyran-3,4,5-triol
CID 44334965
(2R,3S,5R,6S)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 44354488
Carba-alpha-d-glucopyranose
CID 44354490
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59974145
(R)-2,6-Bis-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
CID 44335453
(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 44354489
GlyTouCan:G50260YT
CID 44234359

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)oxepan-4-ol?
The IUPAC name of 7-(hydroxymethyl)oxepan-4-ol (CID 123972683) is 7-(hydroxymethyl)oxepan-4-ol.
What is the SMILES notation for 7-(hydroxymethyl)oxepan-4-ol?
The canonical SMILES for 7-(hydroxymethyl)oxepan-4-ol is OCC1CCC(O)CCO1.
What is the InChIKey of 7-(hydroxymethyl)oxepan-4-ol?
The InChIKey is CAGWJBNAEPYKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-5-7-2-1-6(9)3-4-10-7/h6-9H,1-5H2.
What are the key properties of 7-(hydroxymethyl)oxepan-4-ol?
7-(hydroxymethyl)oxepan-4-ol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)oxepan-4-ol is sourced from PubChem (CID 123972683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).