2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane

C14H24O2 — CID 71471494

IUPAC2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane
SMILESC=CC1COC(C)(CCC(C)C=C(C)C)O1
InChIInChI=1S/C14H24O2/c1-6-13-10-15-14(5,16-13)8-7-12(4)9-11(2)3/h6,9,12-13H,1,7-8,10H2,2-5H3
InChIKeyXADDYTMHKOPXRY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds5

About 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane

2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane (PubChem CID 71471494) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane
PubChem CID71471494
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane
SMILESC=CC1COC(C)(CCC(C)C=C(C)C)O1
InChIInChI=1S/C14H24O2/c1-6-13-10-15-14(5,16-13)8-7-12(4)9-11(2)3/h6,9,12-13H,1,7-8,10H2,2-5H3
InChIKeyXADDYTMHKOPXRY-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol
CID 87747392
2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol
CID 66587930
4-ethenyl-1,3-dioxolane-2,2-dithiol
CID 150124062
2,4-dimethylpent-2-ene;lutetium;2,4,7,9-tetramethyldeca-2,8-diene
CID 57404171
(4S)-4-[(2S)-hex-5-en-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 135021066
2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane
CID 71471491
(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 67888562
3-ethenyl-1,4,8-trioxaspiro[4.5]decane
CID 143310490
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane
CID 89076469
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane (CID 71471494) is 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane is C=CC1COC(C)(CCC(C)C=C(C)C)O1.
What is the InChIKey of 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane?
The InChIKey is XADDYTMHKOPXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-13-10-15-14(5,16-13)8-7-12(4)9-11(2)3/h6,9,12-13H,1,7-8,10H2,2-5H3.
What are the key properties of 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane?
2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane is sourced from PubChem (CID 71471494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).