4-(2-methylprop-1-enyl)oxane

C9H16O — CID 91047314

IUPAC4-(2-methylprop-1-enyl)oxane
SMILESCC(C)=CC1CCOCC1
InChIInChI=1S/C9H16O/c1-8(2)7-9-3-5-10-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyXNJNSQFUVVVKAY-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 4-(2-methylprop-1-enyl)oxane

4-(2-methylprop-1-enyl)oxane (PubChem CID 91047314) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)oxane.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)oxane
PubChem CID91047314
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-(2-methylprop-1-enyl)oxane
SMILESCC(C)=CC1CCOCC1
InChIInChI=1S/C9H16O/c1-8(2)7-9-3-5-10-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyXNJNSQFUVVVKAY-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

Citronellyl ethyl ether, (+-)-
CID 50941
2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
2-Octene, 8-butoxy-2,6-dimethyl-
CID 116735
Citronellyl ethyl ether, (R)-
CID 92168246
4-[(E)-3-fluoroprop-1-enyl]oxane
CID 135064441
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
Citronellyl ethyl ether, (S)-
CID 92168245
(+/-)-Lavandulol, methyl ether
CID 12663425
4-[(E)-non-1-enyl]oxane
CID 176426755
1-Methoxy-5,7-dimethyl-4-octene
CID 3022778

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enyl)oxane?
The IUPAC name of 4-(2-methylprop-1-enyl)oxane (CID 91047314) is 4-(2-methylprop-1-enyl)oxane.
What is the SMILES notation for 4-(2-methylprop-1-enyl)oxane?
The canonical SMILES for 4-(2-methylprop-1-enyl)oxane is CC(C)=CC1CCOCC1.
What is the InChIKey of 4-(2-methylprop-1-enyl)oxane?
The InChIKey is XNJNSQFUVVVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)7-9-3-5-10-6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enyl)oxane?
4-(2-methylprop-1-enyl)oxane 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-(2-methylprop-1-enyl)oxane is sourced from PubChem (CID 91047314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).