6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene

C16H24O — CID 2828531

IUPAC6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
SMILESCC1=CCC(C2OCC3CC=C(C)C2C3)CC1
InChIInChI=1S/C16H24O/c1-11-3-7-14(8-4-11)16-15-9-13(10-17-16)6-5-12(15)2/h3,5,13-16H,4,6-10H2,1-2H3
InChIKeyNFUGWSRCZPQFDC-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.10
Rot. Bonds1

About 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene

6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene (PubChem CID 2828531) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
PubChem CID2828531
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
SMILESCC1=CCC(C2OCC3CC=C(C)C2C3)CC1
InChIInChI=1S/C16H24O/c1-11-3-7-14(8-4-11)16-15-9-13(10-17-16)6-5-12(15)2/h3,5,13-16H,4,6-10H2,1-2H3
InChIKeyNFUGWSRCZPQFDC-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.10
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 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene?
The IUPAC name of 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene (CID 2828531) is 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene is CC1=CCC(C2OCC3CC=C(C)C2C3)CC1.
What is the InChIKey of 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene?
The InChIKey is NFUGWSRCZPQFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11-3-7-14(8-4-11)16-15-9-13(10-17-16)6-5-12(15)2/h3,5,13-16H,4,6-10H2,1-2H3.
What are the key properties of 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene?
6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene has a molecular weight of 232.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 2828531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).