3-propan-2-yl-5-prop-2-enyldioxolane

C9H16O2 — CID 155147329

IUPAC3-propan-2-yl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)C)OO1
InChIInChI=1S/C9H16O2/c1-4-5-8-6-9(7(2)3)11-10-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyVNNJTEXZYWWUAT-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.31
Rot. Bonds3

About 3-propan-2-yl-5-prop-2-enyldioxolane

3-propan-2-yl-5-prop-2-enyldioxolane (PubChem CID 155147329) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-propan-2-yl-5-prop-2-enyldioxolane.

Molecular Properties

Compound Name3-propan-2-yl-5-prop-2-enyldioxolane
PubChem CID155147329
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-propan-2-yl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)C)OO1
InChIInChI=1S/C9H16O2/c1-4-5-8-6-9(7(2)3)11-10-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyVNNJTEXZYWWUAT-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexyl-5-prop-2-enyldioxolane
CID 155147325
(3S,5R)-2-methyloct-7-ene-3,5-diol
CID 11367156
(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
CID 134931639
(3R,4S,6S,7R)-3,7-dimethylnona-1,8-diene-4,6-diol
CID 134944590
(3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol
CID 134965022
(2S,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
CID 134992748
2-Methyl-7-octene-3,5-diol
CID 13430810
3-Butyl-3-prop-2-enyldioxolane
CID 88232257
3-Pent-4-en-2-yldioxolane
CID 134227286
4-Methyl-3-prop-2-enyldioxolane
CID 139821071
(3S,4S,6R)-4-methoxy-3-methyl-6-propoxyoct-1-ene
CID 142528971
3-Tert-butyl-5-prop-2-enyldioxolane
CID 155146203

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-prop-2-enyldioxolane?
The IUPAC name of 3-propan-2-yl-5-prop-2-enyldioxolane (CID 155147329) is 3-propan-2-yl-5-prop-2-enyldioxolane.
What is the SMILES notation for 3-propan-2-yl-5-prop-2-enyldioxolane?
The canonical SMILES for 3-propan-2-yl-5-prop-2-enyldioxolane is C=CCC1CC(C(C)C)OO1.
What is the InChIKey of 3-propan-2-yl-5-prop-2-enyldioxolane?
The InChIKey is VNNJTEXZYWWUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-8-6-9(7(2)3)11-10-8/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 3-propan-2-yl-5-prop-2-enyldioxolane?
3-propan-2-yl-5-prop-2-enyldioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-prop-2-enyldioxolane is sourced from PubChem (CID 155147329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).