2,2-diethyl-6-prop-2-enyloxane

C12H22O — CID 14905227

IUPAC2,2-diethyl-6-prop-2-enyloxane
SMILESC=CCC1CCCC(CC)(CC)O1
InChIInChI=1S/C12H22O/c1-4-8-11-9-7-10-12(5-2,6-3)13-11/h4,11H,1,5-10H2,2-3H3
InChIKeyIHTNUPSTSRWYPD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds4

About 2,2-diethyl-6-prop-2-enyloxane

2,2-diethyl-6-prop-2-enyloxane (PubChem CID 14905227) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,2-diethyl-6-prop-2-enyloxane.

Molecular Properties

Compound Name2,2-diethyl-6-prop-2-enyloxane
PubChem CID14905227
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,2-diethyl-6-prop-2-enyloxane
SMILESC=CCC1CCCC(CC)(CC)O1
InChIInChI=1S/C12H22O/c1-4-8-11-9-7-10-12(5-2,6-3)13-11/h4,11H,1,5-10H2,2-3H3
InChIKeyIHTNUPSTSRWYPD-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
6-Ethenyl-2,2-dimethyloxane
CID 13547826
Thromboxene
CID 57129285
2-Methyl-2-prop-2-enyl-4-propyloxetane
CID 12046569
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
2,2-Dimethyl-5-(prop-1-en-2-yl)oxane
CID 71429158
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
(2S,6S)-2-pentyl-6-prop-2-enyloxane
CID 10512105
(2S,6S)-6-pentyl-2-prop-2-enyloxane-2-carbonitrile
CID 10536973
(2S,3S)-3-[(E)-hex-1-enyl]-2-propan-2-yloxane
CID 10632276
(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
CID 10774208

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-prop-2-enyloxane?
The IUPAC name of 2,2-diethyl-6-prop-2-enyloxane (CID 14905227) is 2,2-diethyl-6-prop-2-enyloxane.
What is the SMILES notation for 2,2-diethyl-6-prop-2-enyloxane?
The canonical SMILES for 2,2-diethyl-6-prop-2-enyloxane is C=CCC1CCCC(CC)(CC)O1.
What is the InChIKey of 2,2-diethyl-6-prop-2-enyloxane?
The InChIKey is IHTNUPSTSRWYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-8-11-9-7-10-12(5-2,6-3)13-11/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 2,2-diethyl-6-prop-2-enyloxane?
2,2-diethyl-6-prop-2-enyloxane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-prop-2-enyloxane is sourced from PubChem (CID 14905227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).