4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene

C15H24O — CID 21434903

IUPAC4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene
SMILESCC1=C2CC(C(C)C)C3CC(C)C2(CC1)O3
InChIInChI=1S/C15H24O/c1-9(2)12-8-13-10(3)5-6-15(13)11(4)7-14(12)16-15/h9,11-12,14H,5-8H2,1-4H3
InChIKeyJDRRMOFBGIAPRZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds1

About 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene

4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene (PubChem CID 21434903) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene.

Molecular Properties

Compound Name4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene
PubChem CID21434903
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene
SMILESCC1=C2CC(C(C)C)C3CC(C)C2(CC1)O3
InChIInChI=1S/C15H24O/c1-9(2)12-8-13-10(3)5-6-15(13)11(4)7-14(12)16-15/h9,11-12,14H,5-8H2,1-4H3
InChIKeyJDRRMOFBGIAPRZ-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
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 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
The IUPAC name of 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene (CID 21434903) is 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene.
What is the SMILES notation for 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
The canonical SMILES for 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene is CC1=C2CC(C(C)C)C3CC(C)C2(CC1)O3.
What is the InChIKey of 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
The InChIKey is JDRRMOFBGIAPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)12-8-13-10(3)5-6-15(13)11(4)7-14(12)16-15/h9,11-12,14H,5-8H2,1-4H3.
What are the key properties of 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene has a molecular weight of 220.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undec-4-ene is sourced from PubChem (CID 21434903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).