4-methyl-4-prop-1-enyloxane

C9H16O — CID 76623259

IUPAC4-methyl-4-prop-1-enyloxane
SMILESCC=CC1(C)CCOCC1
InChIInChI=1S/C9H16O/c1-3-4-9(2)5-7-10-8-6-9/h3-4H,5-8H2,1-2H3
InChIKeyWCSLTDCHIWRJEM-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 4-methyl-4-prop-1-enyloxane

4-methyl-4-prop-1-enyloxane (PubChem CID 76623259) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methyl-4-prop-1-enyloxane.

Molecular Properties

Compound Name4-methyl-4-prop-1-enyloxane
PubChem CID76623259
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methyl-4-prop-1-enyloxane
SMILESCC=CC1(C)CCOCC1
InChIInChI=1S/C9H16O/c1-3-4-9(2)5-7-10-8-6-9/h3-4H,5-8H2,1-2H3
InChIKeyWCSLTDCHIWRJEM-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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

4-[(E)-prop-1-enyl]oxane
CID 21691514
4-(Ethoxymethyl)cyclohexene
CID 85982053
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
Divinyltetrahydropyran
CID 129699652
4-[(E)-non-1-enyl]oxane
CID 176426755
4-Methyl-4-prop-2-enyloxane
CID 57602800
4-Methyl-4-(2-methylprop-1-enyl)oxane
CID 57602847
4-[(E)-but-1-enyl]oxane
CID 57602852
4-methyl-4-[(E)-prop-1-enyl]oxane
CID 57602871
4,4-Bis(methoxymethyl)cyclohexene
CID 58930746
3-But-2-enyl-5-methyloxane
CID 59704097
4-(Methoxymethyl)-4-methylcyclopentene
CID 59888767

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-prop-1-enyloxane?
The IUPAC name of 4-methyl-4-prop-1-enyloxane (CID 76623259) is 4-methyl-4-prop-1-enyloxane.
What is the SMILES notation for 4-methyl-4-prop-1-enyloxane?
The canonical SMILES for 4-methyl-4-prop-1-enyloxane is CC=CC1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-prop-1-enyloxane?
The InChIKey is WCSLTDCHIWRJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-9(2)5-7-10-8-6-9/h3-4H,5-8H2,1-2H3.
What are the key properties of 4-methyl-4-prop-1-enyloxane?
4-methyl-4-prop-1-enyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-1-enyloxane is sourced from PubChem (CID 76623259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).