2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one

C8H12O3 — CID 11768809

IUPAC2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one
SMILESC=CCC1OC(C)(C)OC1=O
InChIInChI=1S/C8H12O3/c1-4-5-6-7(9)11-8(2,3)10-6/h4,6H,1,5H2,2-3H3
InChIKeyGAZFHJKNSFRDMM-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one

2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one (PubChem CID 11768809) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one
PubChem CID11768809
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one
SMILESC=CCC1OC(C)(C)OC1=O
InChIInChI=1S/C8H12O3/c1-4-5-6-7(9)11-8(2,3)10-6/h4,6H,1,5H2,2-3H3
InChIKeyGAZFHJKNSFRDMM-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Vlysfroiivaenj-rnfrbkrxsa-
CID 13846565
(2R,5S)-2-tert-butyl-5-methyl-5-prop-2-enyl-1,3-dioxolan-4-one
CID 11019849
(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carbaldehyde
CID 24770450
(3R,5S,6S)-5,6-dimethoxy-5,6-dimethyl-3-prop-2-enyl-1,4-dioxan-2-one
CID 11424723
methyl (2S)-2-acetyloxypent-4-enoate
CID 11513826
Methyl 2,2-dimethoxypent-4-enoate
CID 12456496
ethyl (2S)-2-acetyloxypent-4-enoate
CID 101958381
Methyl 2-butoxy-4-pentenoate
CID 129754961
methyl (4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134860171
(3S,5S,6S)-5,6-dimethoxy-5,6-dimethyl-3-prop-2-enyl-1,4-dioxan-2-one
CID 134918514
(3R,6S)-5,6-dimethoxy-5,6-dimethyl-3-prop-2-enyl-1,4-dioxan-2-one
CID 135037105
Methyl 2-methoxy-4-pentenoate
CID 559015

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one?
The IUPAC name of 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one (CID 11768809) is 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one.
What is the SMILES notation for 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one?
The canonical SMILES for 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one is C=CCC1OC(C)(C)OC1=O.
What is the InChIKey of 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one?
The InChIKey is GAZFHJKNSFRDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-5-6-7(9)11-8(2,3)10-6/h4,6H,1,5H2,2-3H3.
What are the key properties of 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one?
2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-one is sourced from PubChem (CID 11768809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).