4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol

C16H24O2 — CID 163002435

IUPAC4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol
SMILESCOC1C=CC2C3CC4CCCC3(C)C4(C)C12O
InChIInChI=1S/C16H24O2/c1-14-8-4-5-10-9-12(14)11-6-7-13(18-3)16(11,17)15(10,14)2/h6-7,10-13,17H,4-5,8-9H2,1-3H3
InChIKeyGPHREGVQROBXIU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.76
Rot. Bonds1

About 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol

4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol (PubChem CID 163002435) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol.

Molecular Properties

Compound Name4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol
PubChem CID163002435
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol
SMILESCOC1C=CC2C3CC4CCCC3(C)C4(C)C12O
InChIInChI=1S/C16H24O2/c1-14-8-4-5-10-9-12(14)11-6-7-13(18-3)16(11,17)15(10,14)2/h6-7,10-13,17H,4-5,8-9H2,1-3H3
InChIKeyGPHREGVQROBXIU-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
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 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol?
The IUPAC name of 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol (CID 163002435) is 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol.
What is the SMILES notation for 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol?
The canonical SMILES for 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol is COC1C=CC2C3CC4CCCC3(C)C4(C)C12O.
What is the InChIKey of 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol?
The InChIKey is GPHREGVQROBXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-14-8-4-5-10-9-12(14)11-6-7-13(18-3)16(11,17)15(10,14)2/h6-7,10-13,17H,4-5,8-9H2,1-3H3.
What are the key properties of 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol?
4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol has a molecular weight of 248.37 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-dimethyltetracyclo[6.5.0.02,10.03,7]tridec-5-en-3-ol is sourced from PubChem (CID 163002435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).