(2S)-2-ethyloxane

C7H14O — CID 7783978

IUPAC(2S)-2-ethyloxane
SMILESCC[C@H]1CCCCO1
InChIInChI=1S/C7H14O/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIHTNRDIBNXBSIF-ZETCQYMHSA-N
MW114.19 g/mol
LogP1.97
Rot. Bonds1

About (2S)-2-ethyloxane

(2S)-2-ethyloxane (PubChem CID 7783978) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (2S)-2-ethyloxane.

Molecular Properties

Compound Name(2S)-2-ethyloxane
PubChem CID7783978
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(2S)-2-ethyloxane
SMILESCC[C@H]1CCCCO1
InChIInChI=1S/C7H14O/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIHTNRDIBNXBSIF-ZETCQYMHSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyloxane?
The IUPAC name of (2S)-2-ethyloxane (CID 7783978) is (2S)-2-ethyloxane.
What is the SMILES notation for (2S)-2-ethyloxane?
The canonical SMILES for (2S)-2-ethyloxane is CC[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-ethyloxane?
The InChIKey is IHTNRDIBNXBSIF-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14O/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-ethyloxane?
(2S)-2-ethyloxane has a molecular weight of 114.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyloxane is sourced from PubChem (CID 7783978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).