(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol

C15H18O2 — CID 101090906

IUPAC(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol
SMILESC=C[C@]1(O)c2ccccc2C(C)(C)[C@@]1(O)C=C
InChIInChI=1S/C15H18O2/c1-5-14(16)12-10-8-7-9-11(12)13(3,4)15(14,17)6-2/h5-10,16-17H,1-2H2,3-4H3/t14-,15-/m0/s1
InChIKeyRSQGUANJYNVEJB-GJZGRUSLSA-N
MW230.31 g/mol
LogP2.27
Rot. Bonds2

About (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol

(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol (PubChem CID 101090906) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol
PubChem CID101090906
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol
SMILESC=C[C@]1(O)c2ccccc2C(C)(C)[C@@]1(O)C=C
InChIInChI=1S/C15H18O2/c1-5-14(16)12-10-8-7-9-11(12)13(3,4)15(14,17)6-2/h5-10,16-17H,1-2H2,3-4H3/t14-,15-/m0/s1
InChIKeyRSQGUANJYNVEJB-GJZGRUSLSA-N
XLogP2.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-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

1,4-dimethylnaphthalene-1,4-diol
CID 14120481
2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol
CID 71425229
methane;9-methylfluoren-9-ol
CID 160708378
3-ethenyl-3-methyl-1,2-dihydroinden-1-ol
CID 130142583
5-ethenyl-5-hydroxy-6-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile
CID 11085522
22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene-1,8,15-triol
CID 14974881
9-ethenylxanthen-9-ol
CID 19261468
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008
5-ethenyl-1,5,6,6-tetramethylimidazo[2,1-a]isoquinolin-1-ium
CID 91338206
9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol
CID 23265010
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
CID 143006458
(1aR,2R,7bR)-2,3,3-trimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-2-ol
CID 101130359

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol?
The IUPAC name of (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol (CID 101090906) is (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol is C=C[C@]1(O)c2ccccc2C(C)(C)[C@@]1(O)C=C.
What is the InChIKey of (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol?
The InChIKey is RSQGUANJYNVEJB-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-14(16)12-10-8-7-9-11(12)13(3,4)15(14,17)6-2/h5-10,16-17H,1-2H2,3-4H3/t14-,15-/m0/s1.
What are the key properties of (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol?
(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol has a molecular weight of 230.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol is sourced from PubChem (CID 101090906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).