4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol

C12H18O3 — CID 67104772

IUPAC4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol
SMILESC=CC1(C=C)C=CC(O)C(OC)(OC)C1
InChIInChI=1S/C12H18O3/c1-5-11(6-2)8-7-10(13)12(9-11,14-3)15-4/h5-8,10,13H,1-2,9H2,3-4H3
InChIKeyPDFFMTIZRYCYCE-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.65
Rot. Bonds4

About 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol

4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol (PubChem CID 67104772) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol
PubChem CID67104772
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol
SMILESC=CC1(C=C)C=CC(O)C(OC)(OC)C1
InChIInChI=1S/C12H18O3/c1-5-11(6-2)8-7-10(13)12(9-11,14-3)15-4/h5-8,10,13H,1-2,9H2,3-4H3
InChIKeyPDFFMTIZRYCYCE-UHFFFAOYSA-N
XLogP1.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol?
The IUPAC name of 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol (CID 67104772) is 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol?
The canonical SMILES for 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol is C=CC1(C=C)C=CC(O)C(OC)(OC)C1.
What is the InChIKey of 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol?
The InChIKey is PDFFMTIZRYCYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-11(6-2)8-7-10(13)12(9-11,14-3)15-4/h5-8,10,13H,1-2,9H2,3-4H3.
What are the key properties of 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol?
4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol has a molecular weight of 210.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol is sourced from PubChem (CID 67104772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).