2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol

C14H22O2 — CID 22967276

IUPAC2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
SMILESC=CC1(O)C2CCC(C)(C2(C)C)C1(O)C=C
InChIInChI=1S/C14H22O2/c1-6-13(15)10-8-9-12(5,11(10,3)4)14(13,16)7-2/h6-7,10,15-16H,1-2,8-9H2,3-5H3
InChIKeyOAYFXIYCAGAXSP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.28
Rot. Bonds2

About 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol

2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol (PubChem CID 22967276) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
PubChem CID22967276
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
SMILESC=CC1(O)C2CCC(C)(C2(C)C)C1(O)C=C
InChIInChI=1S/C14H22O2/c1-6-13(15)10-8-9-12(5,11(10,3)4)14(13,16)7-2/h6-7,10,15-16H,1-2,8-9H2,3-5H3
InChIKeyOAYFXIYCAGAXSP-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bicyclo[2.2.1]heptan-2-ol, 2-allyl-1,7,7-trimethyl-
CID 4918971
Vinylborneol
CID 14811557
(1R,2R,4R)-1,7,7-Trimethyl-2-(2-propen-1-yl)bicyclo(2.2.1)heptan-2-ol
CID 1506016
2-But-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68836192
2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 134964190
(1S,4S)-2-ethenyl-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 135041632
(1R,2R,4S)-2-ethenyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 14811582
(1R,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 11105962
(1S,2S,4R)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 23376246
3-Ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol
CID 59068251
(1S,2R,4R)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 68837229
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol (CID 22967276) is 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol is C=CC1(O)C2CCC(C)(C2(C)C)C1(O)C=C.
What is the InChIKey of 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is OAYFXIYCAGAXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-13(15)10-8-9-12(5,11(10,3)4)14(13,16)7-2/h6-7,10,15-16H,1-2,8-9H2,3-5H3.
What are the key properties of 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 222.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 22967276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).