4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene

C18H28O — CID 572284

IUPAC4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene
SMILESCC1=CCC(C2OCC3CC2C(C)=CC3C)C(C)C1
InChIInChI=1S/C18H28O/c1-11-5-6-16(13(3)7-11)18-17-9-15(10-19-18)12(2)8-14(17)4/h5,8,12-13,15-18H,6-7,9-10H2,1-4H3
InChIKeyWBKMHGSGQSVCJQ-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.60
Rot. Bonds1

About 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene

4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene (PubChem CID 572284) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene
PubChem CID572284
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene
SMILESCC1=CCC(C2OCC3CC2C(C)=CC3C)C(C)C1
InChIInChI=1S/C18H28O/c1-11-5-6-16(13(3)7-11)18-17-9-15(10-19-18)12(2)8-14(17)4/h5,8,12-13,15-18H,6-7,9-10H2,1-4H3
InChIKeyWBKMHGSGQSVCJQ-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene?
The IUPAC name of 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene (CID 572284) is 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene is CC1=CCC(C2OCC3CC2C(C)=CC3C)C(C)C1.
What is the InChIKey of 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene?
The InChIKey is WBKMHGSGQSVCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-11-5-6-16(13(3)7-11)18-17-9-15(10-19-18)12(2)8-14(17)4/h5,8,12-13,15-18H,6-7,9-10H2,1-4H3.
What are the key properties of 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene?
4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene has a molecular weight of 260.42 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 572284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).