3-(1-propoxyethyl)oxane

C10H20O2 — CID 56990213

IUPAC3-(1-propoxyethyl)oxane
SMILESCCCOC(C)C1CCCOC1
InChIInChI=1S/C10H20O2/c1-3-6-12-9(2)10-5-4-7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyPDJKHNGTNMSZOG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 3-(1-propoxyethyl)oxane

3-(1-propoxyethyl)oxane (PubChem CID 56990213) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(1-propoxyethyl)oxane.

Molecular Properties

Compound Name3-(1-propoxyethyl)oxane
PubChem CID56990213
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(1-propoxyethyl)oxane
SMILESCCCOC(C)C1CCCOC1
InChIInChI=1S/C10H20O2/c1-3-6-12-9(2)10-5-4-7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyPDJKHNGTNMSZOG-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Oxiran-2-yl)oxane
CID 64138143
(2R,4S,5S,6S)-2-fluoro-4-methoxy-2,5,6-trimethyloxane
CID 144251762
5-(Methoxymethyl)-2-(trifluoromethyl)oxane
CID 166766046
2,3,5-Trimethyloxane
CID 59959641
2,6-Dimethyltetrahydropyran-3-carbinol
CID 129888438
1R-Ethoxy-3-cis-methoxy-5-cis-methylcyclohexane
CID 547218
1R-Ethoxy-3-cis-methoxy-2-trans-methylcyclohexane
CID 549300
1,3-Diethoxy-2-methylcyclohexane
CID 551673
1,3-Diethoxy-5-methylcyclohexane
CID 551764
4-[[(2R)-oxiran-2-yl]methyl]oxane
CID 15939149
(2R,3R,5R)-2,3,5-trimethyloxane
CID 21680007
(2R,3S,5R)-2,3,5-trimethyloxane
CID 21680008

Frequently Asked Questions

What is the IUPAC name of 3-(1-propoxyethyl)oxane?
The IUPAC name of 3-(1-propoxyethyl)oxane (CID 56990213) is 3-(1-propoxyethyl)oxane.
What is the SMILES notation for 3-(1-propoxyethyl)oxane?
The canonical SMILES for 3-(1-propoxyethyl)oxane is CCCOC(C)C1CCCOC1.
What is the InChIKey of 3-(1-propoxyethyl)oxane?
The InChIKey is PDJKHNGTNMSZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-6-12-9(2)10-5-4-7-11-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(1-propoxyethyl)oxane?
3-(1-propoxyethyl)oxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propoxyethyl)oxane is sourced from PubChem (CID 56990213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).