3-(2-ethenoxyethyl)-3-methyloxane

C10H18O2 — CID 176603778

IUPAC3-(2-ethenoxyethyl)-3-methyloxane
SMILESC=COCCC1(C)CCCOC1
InChIInChI=1S/C10H18O2/c1-3-11-8-6-10(2)5-4-7-12-9-10/h3H,1,4-9H2,2H3
InChIKeyDNAYTMZIJCPNFE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 3-(2-ethenoxyethyl)-3-methyloxane

3-(2-ethenoxyethyl)-3-methyloxane (PubChem CID 176603778) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)-3-methyloxane.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)-3-methyloxane
PubChem CID176603778
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(2-ethenoxyethyl)-3-methyloxane
SMILESC=COCCC1(C)CCCOC1
InChIInChI=1S/C10H18O2/c1-3-11-8-6-10(2)5-4-7-12-9-10/h3H,1,4-9H2,2H3
InChIKeyDNAYTMZIJCPNFE-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethenoxy-4,4-dimethylhexane
CID 20811170
4-(Ethenoxymethyl)-4-methyloxane
CID 68560612
1-Ethenoxy-2,2,4,4-tetramethylhexane
CID 123765870
3-(2-Ethenoxyethyl)-3-propyloxetane
CID 140130453
3-(Ethenoxymethyl)-3-ethyloxane
CID 161788767
4-(3-Methoxypropyl)-4-methyloxane
CID 172289469
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603191
3-(2-Ethenoxyethyl)oxane
CID 176604058
4-(Ethenoxymethyl)-4-ethyloxane
CID 176604167
4-(3-Ethenoxypropyl)-4-ethyloxane
CID 176604267
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604456
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176604638

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)-3-methyloxane?
The IUPAC name of 3-(2-ethenoxyethyl)-3-methyloxane (CID 176603778) is 3-(2-ethenoxyethyl)-3-methyloxane.
What is the SMILES notation for 3-(2-ethenoxyethyl)-3-methyloxane?
The canonical SMILES for 3-(2-ethenoxyethyl)-3-methyloxane is C=COCCC1(C)CCCOC1.
What is the InChIKey of 3-(2-ethenoxyethyl)-3-methyloxane?
The InChIKey is DNAYTMZIJCPNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-11-8-6-10(2)5-4-7-12-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 3-(2-ethenoxyethyl)-3-methyloxane?
3-(2-ethenoxyethyl)-3-methyloxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)-3-methyloxane is sourced from PubChem (CID 176603778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).