pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol

C20H14O2 — CID 102091760

IUPACpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol
SMILESOc1cccc2c1C1c3ccccc3C2c2c(O)cccc21
InChIInChI=1S/C20H14O2/c21-15-9-4-8-14-18-12-6-2-1-5-11(12)17(19(14)15)13-7-3-10-16(22)20(13)18/h1-10,17-18,21-22H
InChIKeyJMSMVLHKLSQXFE-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.09
Rot. Bonds

About pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol

pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol (PubChem CID 102091760) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol.

Molecular Properties

Compound Namepentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol
PubChem CID102091760
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Namepentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol
SMILESOc1cccc2c1C1c3ccccc3C2c2c(O)cccc21
InChIInChI=1S/C20H14O2/c21-15-9-4-8-14-18-12-6-2-1-5-11(12)17(19(14)15)13-7-3-10-16(22)20(13)18/h1-10,17-18,21-22H
InChIKeyJMSMVLHKLSQXFE-UHFFFAOYSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol with MolForge

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Related Compounds

ethane;6-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-3-ol
CID 169156412
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315
nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
CID 11532417
14-methylnonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
CID 135043992
10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,13-diamine
CID 24813236
(14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide
CID 134941819
15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 4118963
(1R,8R,15S,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-3,6,15,16-tetrol
CID 125496010
9H-thioxanthene-1,9-diol
CID 71345506
9-hydroxy-4-oxa-6-thiahexacyclo[9.6.6.02,10.03,7.012,17.018,23]tricosa-2(10),3(7),8,12,14,16,18,20,22-nonaen-5-one
CID 43845235

Frequently Asked Questions

What is the IUPAC name of pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol?
The IUPAC name of pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol (CID 102091760) is pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol.
What is the SMILES notation for pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol?
The canonical SMILES for pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol is Oc1cccc2c1C1c3ccccc3C2c2c(O)cccc21.
What is the InChIKey of pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol?
The InChIKey is JMSMVLHKLSQXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c21-15-9-4-8-14-18-12-6-2-1-5-11(12)17(19(14)15)13-7-3-10-16(22)20(13)18/h1-10,17-18,21-22H.
What are the key properties of pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol?
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol has a molecular weight of 286.33 g/mol, XLogP of 4.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol is sourced from PubChem (CID 102091760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).