oxepan-4-ylmethanol

C7H14O2 — CID 21094265

IUPACoxepan-4-ylmethanol
SMILESOCC1CCCOCC1
InChIInChI=1S/C7H14O2/c8-6-7-2-1-4-9-5-3-7/h7-8H,1-6H2
InChIKeyKCBZEQIKCZEMMW-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.80
Rot. Bonds1

About oxepan-4-ylmethanol

oxepan-4-ylmethanol (PubChem CID 21094265) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is oxepan-4-ylmethanol.

Molecular Properties

Compound Nameoxepan-4-ylmethanol
PubChem CID21094265
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameoxepan-4-ylmethanol
SMILESOCC1CCCOCC1
InChIInChI=1S/C7H14O2/c8-6-7-2-1-4-9-5-3-7/h7-8H,1-6H2
InChIKeyKCBZEQIKCZEMMW-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-4-ylmethanol
CID 2773573
oxan-4-ylmethanol;oxolan-3-ylmethanol
CID 159525892
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906
cyclotetradecylmethanol
CID 23468347
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
cyclobutylmethanol;ethanol
CID 68532840
dihydroxy(oxo)silane;oxolan-3-ylmethanol
CID 70548598
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647
oxane-3-carbaldehyde;oxan-3-ylmethanol
CID 159628302
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
oxane;oxolan-2-ylmethanol
CID 70368060
3-[2-methyl-4-(oxan-4-yl)butyl]oxane
CID 173376707

Frequently Asked Questions

What is the IUPAC name of oxepan-4-ylmethanol?
The IUPAC name of oxepan-4-ylmethanol (CID 21094265) is oxepan-4-ylmethanol.
What is the SMILES notation for oxepan-4-ylmethanol?
The canonical SMILES for oxepan-4-ylmethanol is OCC1CCCOCC1.
What is the InChIKey of oxepan-4-ylmethanol?
The InChIKey is KCBZEQIKCZEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c8-6-7-2-1-4-9-5-3-7/h7-8H,1-6H2.
What are the key properties of oxepan-4-ylmethanol?
oxepan-4-ylmethanol has a molecular weight of 130.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxepan-4-ylmethanol is sourced from PubChem (CID 21094265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).