2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane

C17H30O2 — CID 19803380

IUPAC2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(C)(C2CCC(C)=CC2C)OC1
InChIInChI=1S/C17H30O2/c1-6-9-16(4)11-18-17(5,19-12-16)15-8-7-13(2)10-14(15)3/h10,14-15H,6-9,11-12H2,1-5H3
InChIKeySNBCDBIRQSYRPI-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.55
Rot. Bonds3

About 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane

2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane (PubChem CID 19803380) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
PubChem CID19803380
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(C)(C2CCC(C)=CC2C)OC1
InChIInChI=1S/C17H30O2/c1-6-9-16(4)11-18-17(5,19-12-16)15-8-7-13(2)10-14(15)3/h10,14-15H,6-9,11-12H2,1-5H3
InChIKeySNBCDBIRQSYRPI-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane with MolForge

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Related Compounds

1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
CID 16070752
2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
CID 172844
5-Sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 139415167
1,3-Dioxane, 2-[(1R,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363669
1,3-Dioxane, 2-[(1S,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363673
1,3-Dioxane, 2-[(1S,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363674
1,3-Dioxane, 2-[(1R,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363675
3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 764102
5-Methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 3115171
4-Methyl-2-(2,4,6-trimethyl-3-cyclohexenyl)-1,3-dioxane
CID 3115172
4,4,6-Trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 3115173
3-Ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3608643

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
The IUPAC name of 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane (CID 19803380) is 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
The canonical SMILES for 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane is CCCC1(C)COC(C)(C2CCC(C)=CC2C)OC1.
What is the InChIKey of 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
The InChIKey is SNBCDBIRQSYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-9-16(4)11-18-17(5,19-12-16)15-8-7-13(2)10-14(15)3/h10,14-15H,6-9,11-12H2,1-5H3.
What are the key properties of 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane has a molecular weight of 266.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane is sourced from PubChem (CID 19803380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).