6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene

C17H28O2 — CID 22619035

IUPAC6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC(OC23C=CC(CC2C)O3)CC(C(C)C)C1
InChIInChI=1S/C17H28O2/c1-11(2)14-7-12(3)8-16(10-14)19-17-6-5-15(18-17)9-13(17)4/h5-6,11-16H,7-10H2,1-4H3
InChIKeyHTPSALZKAXVJRA-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.15
Rot. Bonds3

About 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene

6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 22619035) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID22619035
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC(OC23C=CC(CC2C)O3)CC(C(C)C)C1
InChIInChI=1S/C17H28O2/c1-11(2)14-7-12(3)8-16(10-14)19-17-6-5-15(18-17)9-13(17)4/h5-6,11-16H,7-10H2,1-4H3
InChIKeyHTPSALZKAXVJRA-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.15
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 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene (CID 22619035) is 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene is CC1CC(OC23C=CC(CC2C)O3)CC(C(C)C)C1.
What is the InChIKey of 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is HTPSALZKAXVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11(2)14-7-12(3)8-16(10-14)19-17-6-5-15(18-17)9-13(17)4/h5-6,11-16H,7-10H2,1-4H3.
What are the key properties of 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene?
6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 264.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22619035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).