3,5-dimethyl-2-prop-2-enyloxolane

C9H16O — CID 91176144

IUPAC3,5-dimethyl-2-prop-2-enyloxolane
SMILESC=CCC1OC(C)CC1C
InChIInChI=1S/C9H16O/c1-4-5-9-7(2)6-8(3)10-9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyBWCKZGXZWAUDNW-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About 3,5-dimethyl-2-prop-2-enyloxolane

3,5-dimethyl-2-prop-2-enyloxolane (PubChem CID 91176144) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,5-dimethyl-2-prop-2-enyloxolane.

Molecular Properties

Compound Name3,5-dimethyl-2-prop-2-enyloxolane
PubChem CID91176144
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3,5-dimethyl-2-prop-2-enyloxolane
SMILESC=CCC1OC(C)CC1C
InChIInChI=1S/C9H16O/c1-4-5-9-7(2)6-8(3)10-9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyBWCKZGXZWAUDNW-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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CID 4417734
2-Allyl-2-methyltetrahydrofuran
CID 13114884
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
(2R,3S)-2-cyclohexyl-3-ethenyloxolane
CID 10877738
cis-(1S,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291129
trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291130
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
(4S,5S)-4-methyl-5-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 15247708
4-Butyl-3-octyl-2-prop-2-enyloxolane
CID 15438011
(2R,3R,5R)-2-butyl-3-ethenyl-3-methyl-5-prop-2-enyloxolane
CID 16125788
(2R,3R,5R)-2-butyl-3-ethenyl-3-methyl-5-(2-methylprop-2-enyl)oxolane
CID 16125789
2-Methyl-4-(non-8-en-1-yl)oxolane
CID 71330222

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-prop-2-enyloxolane?
The IUPAC name of 3,5-dimethyl-2-prop-2-enyloxolane (CID 91176144) is 3,5-dimethyl-2-prop-2-enyloxolane.
What is the SMILES notation for 3,5-dimethyl-2-prop-2-enyloxolane?
The canonical SMILES for 3,5-dimethyl-2-prop-2-enyloxolane is C=CCC1OC(C)CC1C.
What is the InChIKey of 3,5-dimethyl-2-prop-2-enyloxolane?
The InChIKey is BWCKZGXZWAUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-9-7(2)6-8(3)10-9/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 3,5-dimethyl-2-prop-2-enyloxolane?
3,5-dimethyl-2-prop-2-enyloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-prop-2-enyloxolane is sourced from PubChem (CID 91176144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).