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

C17H30O2 — CID 19803370

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(C)(C2CC(C)=CC(C)C2)OC1
InChIInChI=1S/C17H30O2/c1-6-7-16(4)11-18-17(5,19-12-16)15-9-13(2)8-14(3)10-15/h8,13,15H,6-7,9-12H2,1-5H3
InChIKeyYHZSHSWDKMYDFI-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.55
Rot. Bonds3

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

2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane (PubChem CID 19803370) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
PubChem CID19803370
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(C)(C2CC(C)=CC(C)C2)OC1
InChIInChI=1S/C17H30O2/c1-6-7-16(4)11-18-17(5,19-12-16)15-9-13(2)8-14(3)10-15/h8,13,15H,6-7,9-12H2,1-5H3
InChIKeyYHZSHSWDKMYDFI-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 ≤ 500266.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane (CID 19803370) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane is CCCC1(C)COC(C)(C2CC(C)=CC(C)C2)OC1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
The InChIKey is YHZSHSWDKMYDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-7-16(4)11-18-17(5,19-12-16)15-9-13(2)8-14(3)10-15/h8,13,15H,6-7,9-12H2,1-5H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane?
2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane has a molecular weight of 266.43 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-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane is sourced from PubChem (CID 19803370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).