4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane

C11H20O2 — CID 19388289

IUPAC4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane
SMILESC=CC1COC(C)(CCCCC)O1
InChIInChI=1S/C11H20O2/c1-4-6-7-8-11(3)12-9-10(5-2)13-11/h5,10H,2,4,6-9H2,1,3H3
InChIKeyBTFGPGISPJRGIG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.88
Rot. Bonds5

About 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane

4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane (PubChem CID 19388289) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane
PubChem CID19388289
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane
SMILESC=CC1COC(C)(CCCCC)O1
InChIInChI=1S/C11H20O2/c1-4-6-7-8-11(3)12-9-10(5-2)13-11/h5,10H,2,4,6-9H2,1,3H3
InChIKeyBTFGPGISPJRGIG-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
CID 11579383
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 10103862
(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11298584
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11513947
(2S)-7-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-ol
CID 25018184
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 73055175
(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane
CID 91982449
(3R)-3-[(1S)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane
CID 101424164
(3S)-3-[(E)-2-prop-2-enoxyethenyl]-1,4-dioxaspiro[4.5]decane
CID 101497899
(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
CID 134846281
2-Hexyl-2-prop-2-enyl-1,3-dioxolane
CID 134971657

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane (CID 19388289) is 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane is C=CC1COC(C)(CCCCC)O1.
What is the InChIKey of 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane?
The InChIKey is BTFGPGISPJRGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-8-11(3)12-9-10(5-2)13-11/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane?
4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-2-pentyl-1,3-dioxolane is sourced from PubChem (CID 19388289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).