(2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene

C18H20O — CID 11482165

IUPAC(2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene
SMILESc1ccc2c3c(ccc2c1)O[C@H]1CCCCCC[C@@H]31
InChIInChI=1S/C18H20O/c1-2-4-10-16-15(9-3-1)18-14-8-6-5-7-13(14)11-12-17(18)19-16/h5-8,11-12,15-16H,1-4,9-10H2/t15-,16+/m1/s1
InChIKeyVNDIFGRHCWLEIU-CVEARBPZSA-N
MW252.36 g/mol
LogP5.04
Rot. Bonds

About (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene

(2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene (PubChem CID 11482165) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene.

Molecular Properties

Compound Name(2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene
PubChem CID11482165
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene
SMILESc1ccc2c3c(ccc2c1)O[C@H]1CCCCCC[C@@H]31
InChIInChI=1S/C18H20O/c1-2-4-10-16-15(9-3-1)18-14-8-6-5-7-13(14)11-12-17(18)19-16/h5-8,11-12,15-16H,1-4,9-10H2/t15-,16+/m1/s1
InChIKeyVNDIFGRHCWLEIU-CVEARBPZSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene with MolForge

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Related Compounds

11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene
CID 4867516
cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705994
cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
12-(3,4,5-trimethoxyphenyl)-7a,8,9,10,11a,12-hexahydrobenzo[a]xanthen-11-one
CID 139234365
(1R,2S,16S,21S)-13,24-dioxa-15,22-diazaoctacyclo[20.12.0.02,15.03,12.04,9.016,21.025,34.028,33]tetratriaconta-3(12),4,6,8,10,25(34),26,28,30,32-decaene-14,23-dione
CID 132545903
(12R,16R,18S)-16-ethenyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46196603
1-(2-methylcyclohexyl)naphthalene-2-sulfonic acid
CID 18989053
cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol
CID 139705959
(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
CID 67721503
1-phenyl-2,3-dihydro-1H-benzo[f]chromen-3-ol
CID 14316337
(3S,3aS,7aR)-3-naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 101352887

Frequently Asked Questions

What is the IUPAC name of (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene?
The IUPAC name of (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene (CID 11482165) is (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene.
What is the SMILES notation for (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene?
The canonical SMILES for (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene is c1ccc2c3c(ccc2c1)O[C@H]1CCCCCC[C@@H]31.
What is the InChIKey of (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene?
The InChIKey is VNDIFGRHCWLEIU-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20O/c1-2-4-10-16-15(9-3-1)18-14-8-6-5-7-13(14)11-12-17(18)19-16/h5-8,11-12,15-16H,1-4,9-10H2/t15-,16+/m1/s1.
What are the key properties of (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene?
(2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene has a molecular weight of 252.36 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene is sourced from PubChem (CID 11482165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).