3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane

C10H18O2 — CID 176603150

IUPAC3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1(C)CCOC1
InChIInChI=1S/C10H18O2/c1-3-6-11-7-4-10(2)5-8-12-9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyCSKAVEQSZKLXAJ-ZZXKWVIFSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane

3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane (PubChem CID 176603150) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane.

Molecular Properties

Compound Name3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
PubChem CID176603150
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1(C)CCOC1
InChIInChI=1S/C10H18O2/c1-3-6-11-7-4-10(2)5-8-12-9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyCSKAVEQSZKLXAJ-ZZXKWVIFSA-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

4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176602993
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603529
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
3-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176603768
3-(2-Ethenoxyethyl)-3-methyloxolane
CID 176604617
3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604648
4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176605097
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605133
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176605430

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The IUPAC name of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane (CID 176603150) is 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane.
What is the SMILES notation for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The canonical SMILES for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane is C/C=C/OCCC1(C)CCOC1.
What is the InChIKey of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The InChIKey is CSKAVEQSZKLXAJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-11-7-4-10(2)5-8-12-9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+.
What are the key properties of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane 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-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane is sourced from PubChem (CID 176603150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).