5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol

C12H18O2 — CID 14775777

IUPAC5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol
SMILESC=CC1(C)CC=C(OC)C1(O)C(=C)C
InChIInChI=1S/C12H18O2/c1-6-11(4)8-7-10(14-5)12(11,13)9(2)3/h6-7,13H,1-2,8H2,3-5H3
InChIKeyQTVAYRNTPLOZRU-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.42
Rot. Bonds3

About 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol

5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol (PubChem CID 14775777) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol
PubChem CID14775777
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol
SMILESC=CC1(C)CC=C(OC)C1(O)C(=C)C
InChIInChI=1S/C12H18O2/c1-6-11(4)8-7-10(14-5)12(11,13)9(2)3/h6-7,13H,1-2,8H2,3-5H3
InChIKeyQTVAYRNTPLOZRU-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.42
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 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol?
The IUPAC name of 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol (CID 14775777) is 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol.
What is the SMILES notation for 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol?
The canonical SMILES for 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol is C=CC1(C)CC=C(OC)C1(O)C(=C)C.
What is the InChIKey of 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol?
The InChIKey is QTVAYRNTPLOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-6-11(4)8-7-10(14-5)12(11,13)9(2)3/h6-7,13H,1-2,8H2,3-5H3.
What are the key properties of 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol?
5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methoxy-5-methyl-1-prop-1-en-2-ylcyclopent-2-en-1-ol is sourced from PubChem (CID 14775777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).