(2R,5S)-2-methoxy-5-prop-2-enoxyoxane

C9H16O3 — CID 125494016

IUPAC(2R,5S)-2-methoxy-5-prop-2-enoxyoxane
SMILESC=CCO[C@H]1CC[C@H](OC)OC1
InChIInChI=1S/C9H16O3/c1-3-6-11-8-4-5-9(10-2)12-7-8/h3,8-9H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyXSMDCKSRCYUMEQ-DTWKUNHWSA-N
MW172.22 g/mol
LogP1.34
Rot. Bonds4

About (2R,5S)-2-methoxy-5-prop-2-enoxyoxane

(2R,5S)-2-methoxy-5-prop-2-enoxyoxane (PubChem CID 125494016) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2R,5S)-2-methoxy-5-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2R,5S)-2-methoxy-5-prop-2-enoxyoxane
PubChem CID125494016
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2R,5S)-2-methoxy-5-prop-2-enoxyoxane
SMILESC=CCO[C@H]1CC[C@H](OC)OC1
InChIInChI=1S/C9H16O3/c1-3-6-11-8-4-5-9(10-2)12-7-8/h3,8-9H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyXSMDCKSRCYUMEQ-DTWKUNHWSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-2-methoxy-5-prop-2-enoxyoxane
CID 125494014
4-prop-2-enoxycyclohexan-1-ol
CID 23031036
(3S,6S)-6-methoxyoxan-3-ol
CID 22859546
2-(methoxymethoxy)-5-propoxyoxane
CID 126611584
2-hexyl-5-prop-2-enoxy-1,3-dioxane
CID 171064910
5-iodo-2-methoxyoxane
CID 59927245
(2S,5R)-2,5-dibutoxyoxane
CID 2311827
methyl 4-prop-2-enoxycyclohexane-1-carboxylate
CID 114450554
2,5-dimethoxy-1,4-dioxane
CID 12500492
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
CID 58620462
ethane;4-prop-2-enoxypiperidine
CID 171805898
2-(4-ethenylcyclohexyl)-5-methoxyoxane
CID 89184529

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methoxy-5-prop-2-enoxyoxane?
The IUPAC name of (2R,5S)-2-methoxy-5-prop-2-enoxyoxane (CID 125494016) is (2R,5S)-2-methoxy-5-prop-2-enoxyoxane.
What is the SMILES notation for (2R,5S)-2-methoxy-5-prop-2-enoxyoxane?
The canonical SMILES for (2R,5S)-2-methoxy-5-prop-2-enoxyoxane is C=CCO[C@H]1CC[C@H](OC)OC1.
What is the InChIKey of (2R,5S)-2-methoxy-5-prop-2-enoxyoxane?
The InChIKey is XSMDCKSRCYUMEQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-6-11-8-4-5-9(10-2)12-7-8/h3,8-9H,1,4-7H2,2H3/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-2-methoxy-5-prop-2-enoxyoxane?
(2R,5S)-2-methoxy-5-prop-2-enoxyoxane has a molecular weight of 172.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methoxy-5-prop-2-enoxyoxane is sourced from PubChem (CID 125494016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).