(1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol

C10H20O3 — CID 15853497

IUPAC(1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol
SMILESCOC[C@]1([C@@H](C)O)CCCCCO1
InChIInChI=1S/C10H20O3/c1-9(11)10(8-12-2)6-4-3-5-7-13-10/h9,11H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeySUBQPTTZESNLIN-ZJUUUORDSA-N
MW188.27 g/mol
LogP1.34
Rot. Bonds3

About (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol

(1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol (PubChem CID 15853497) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol
PubChem CID15853497
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol
SMILESCOC[C@]1([C@@H](C)O)CCCCCO1
InChIInChI=1S/C10H20O3/c1-9(11)10(8-12-2)6-4-3-5-7-13-10/h9,11H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeySUBQPTTZESNLIN-ZJUUUORDSA-N
XLogP1.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol (CID 15853497) is (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol is COC[C@]1([C@@H](C)O)CCCCCO1.
What is the InChIKey of (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol?
The InChIKey is SUBQPTTZESNLIN-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(11)10(8-12-2)6-4-3-5-7-13-10/h9,11H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol?
(1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol has a molecular weight of 188.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-2-(methoxymethyl)oxepan-2-yl]ethanol is sourced from PubChem (CID 15853497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).