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

C18H30O2 — CID 22619016

IUPAC6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC(OCC23C=CC(CC2C)O3)CC(C(C)C)C1
InChIInChI=1S/C18H30O2/c1-12(2)15-7-13(3)8-17(10-15)19-11-18-6-5-16(20-18)9-14(18)4/h5-6,12-17H,7-11H2,1-4H3
InChIKeyBACWYRLYVAVBJC-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.20
Rot. Bonds4

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

6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 22619016) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID22619016
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC(OCC23C=CC(CC2C)O3)CC(C(C)C)C1
InChIInChI=1S/C18H30O2/c1-12(2)15-7-13(3)8-17(10-15)19-11-18-6-5-16(20-18)9-14(18)4/h5-6,12-17H,7-11H2,1-4H3
InChIKeyBACWYRLYVAVBJC-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.20
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)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene (CID 22619016) is 6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene is CC1CC(OCC23C=CC(CC2C)O3)CC(C(C)C)C1.
What is the InChIKey of 6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is BACWYRLYVAVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-12(2)15-7-13(3)8-17(10-15)19-11-18-6-5-16(20-18)9-14(18)4/h5-6,12-17H,7-11H2,1-4H3.
What are the key properties of 6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
6-methyl-1-[(3-methyl-5-propan-2-ylcyclohexyl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 278.44 g/mol, XLogP of 4.20, 4 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)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22619016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).