(2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol

C14H26O6 — CID 142134321

IUPAC(2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol
SMILESOCC1CCC(O)C[C@@H](OCC2CC(O)CCCO2)O1
InChIInChI=1S/C14H26O6/c15-8-12-4-3-11(17)7-14(20-12)19-9-13-6-10(16)2-1-5-18-13/h10-17H,1-9H2/t10?,11?,12?,13?,14-/m0/s1
InChIKeyGCNKWLHCDSXIMN-JVUSGKFHSA-N
MW290.36 g/mol
LogP0.18
Rot. Bonds4

About (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol

(2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol (PubChem CID 142134321) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol.

Molecular Properties

Compound Name(2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol
PubChem CID142134321
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol
SMILESOCC1CCC(O)C[C@@H](OCC2CC(O)CCCO2)O1
InChIInChI=1S/C14H26O6/c15-8-12-4-3-11(17)7-14(20-12)19-9-13-6-10(16)2-1-5-18-13/h10-17H,1-9H2/t10?,11?,12?,13?,14-/m0/s1
InChIKeyGCNKWLHCDSXIMN-JVUSGKFHSA-N
XLogP0.18
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxolan-2-ylmethoxy)cyclohexan-1-ol
CID 79618250
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 177228824
2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol
CID 177228872
2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
CID 146246874
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxan-4-ol
CID 169106537

Frequently Asked Questions

What is the IUPAC name of (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol?
The IUPAC name of (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol (CID 142134321) is (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol.
What is the SMILES notation for (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol?
The canonical SMILES for (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol is OCC1CCC(O)C[C@@H](OCC2CC(O)CCCO2)O1.
What is the InChIKey of (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol?
The InChIKey is GCNKWLHCDSXIMN-JVUSGKFHSA-N. The full InChI is InChI=1S/C14H26O6/c15-8-12-4-3-11(17)7-14(20-12)19-9-13-6-10(16)2-1-5-18-13/h10-17H,1-9H2/t10?,11?,12?,13?,14-/m0/s1.
What are the key properties of (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol?
(2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol has a molecular weight of 290.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-(hydroxymethyl)-2-[(4-hydroxyoxepan-2-yl)methoxy]oxepan-4-ol is sourced from PubChem (CID 142134321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).