2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane

C15H24O2 — CID 20569399

IUPAC2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane
SMILESC=CCCC1(C2=CC(C)(C)CCC2)OCCO1
InChIInChI=1S/C15H24O2/c1-4-5-9-15(16-10-11-17-15)13-7-6-8-14(2,3)12-13/h4,12H,1,5-11H2,2-3H3
InChIKeyJSZDNBGDMCDATC-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.83
Rot. Bonds4

About 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane

2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane (PubChem CID 20569399) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane
PubChem CID20569399
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane
SMILESC=CCCC1(C2=CC(C)(C)CCC2)OCCO1
InChIInChI=1S/C15H24O2/c1-4-5-9-15(16-10-11-17-15)13-7-6-8-14(2,3)12-13/h4,12H,1,5-11H2,2-3H3
InChIKeyJSZDNBGDMCDATC-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.83
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

2-(3,3-Dimethyl-1-cyclohexen-1-yl)-2,5,5-trimethyl-1,3-dioxane
CID 132165004
7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 70371688
7,9,9-Trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10845495
7,9,9-Trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759594
8-Butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759595
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 58005039
8-But-3-enyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 85695582
2-methyl-2-[(4R)-4-methylcyclohexen-1-yl]-1,3-dioxolane
CID 139467954
(2R,6S,9E,11S)-6-butyl-7,7,11-trimethyl-3,5-dioxatricyclo[9.4.0.02,6]pentadeca-1(15),9-dien-4-one
CID 11001673
(4S,5S)-4-butyl-5-(6-ethenyl-6-methylcyclohexen-1-yl)-2,2-dimethyl-4-(2-methylpent-4-en-2-yl)-1,3-dioxolane
CID 15479484
2,5,5-trimethyl-2-[(3S)-3-methyl-3-(2-methylidenebut-3-enyl)cyclopenten-1-yl]-1,3-dioxane
CID 71492108

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane?
The IUPAC name of 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane (CID 20569399) is 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane is C=CCCC1(C2=CC(C)(C)CCC2)OCCO1.
What is the InChIKey of 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane?
The InChIKey is JSZDNBGDMCDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-9-15(16-10-11-17-15)13-7-6-8-14(2,3)12-13/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane?
2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane has a molecular weight of 236.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-1,3-dioxolane is sourced from PubChem (CID 20569399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).