2,2-dimethyl-4-propylideneoxolane

C9H16O — CID 90901579

IUPAC2,2-dimethyl-4-propylideneoxolane
SMILESCCC=C1COC(C)(C)C1
InChIInChI=1S/C9H16O/c1-4-5-8-6-9(2,3)10-7-8/h5H,4,6-7H2,1-3H3
InChIKeyARVURFTWTARWHJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About 2,2-dimethyl-4-propylideneoxolane

2,2-dimethyl-4-propylideneoxolane (PubChem CID 90901579) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2-dimethyl-4-propylideneoxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-propylideneoxolane
PubChem CID90901579
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,2-dimethyl-4-propylideneoxolane
SMILESCCC=C1COC(C)(C)C1
InChIInChI=1S/C9H16O/c1-4-5-8-6-9(2,3)10-7-8/h5H,4,6-7H2,1-3H3
InChIKeyARVURFTWTARWHJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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

2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
Ethyl linalyl ether
CID 175211
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
Marmelo oxide B
CID 14379831
Marmelo oxide A
CID 14379832
(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
4-Methyl-2-(3-methylbuta-1,3-dienyl)oxolane
CID 86247097
(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
CID 162880600
(2S,5S)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888683

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propylideneoxolane?
The IUPAC name of 2,2-dimethyl-4-propylideneoxolane (CID 90901579) is 2,2-dimethyl-4-propylideneoxolane.
What is the SMILES notation for 2,2-dimethyl-4-propylideneoxolane?
The canonical SMILES for 2,2-dimethyl-4-propylideneoxolane is CCC=C1COC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-propylideneoxolane?
The InChIKey is ARVURFTWTARWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-8-6-9(2,3)10-7-8/h5H,4,6-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-propylideneoxolane?
2,2-dimethyl-4-propylideneoxolane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propylideneoxolane is sourced from PubChem (CID 90901579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).