6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol

C20H24O2 — CID 10935340

IUPAC6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol
SMILESCC1CCC2=C(CCCC2(C)C)c2c1oc1ccc(O)cc21
InChIInChI=1S/C20H24O2/c1-12-6-8-16-14(5-4-10-20(16,2)3)18-15-11-13(21)7-9-17(15)22-19(12)18/h7,9,11-12,21H,4-6,8,10H2,1-3H3
InChIKeyLSPMJSWSYGOLFD-UHFFFAOYSA-N
MW296.41 g/mol
LogP6.00
Rot. Bonds

About 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol

6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol (PubChem CID 10935340) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol.

Molecular Properties

Compound Name6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol
PubChem CID10935340
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol
SMILESCC1CCC2=C(CCCC2(C)C)c2c1oc1ccc(O)cc21
InChIInChI=1S/C20H24O2/c1-12-6-8-16-14(5-4-10-20(16,2)3)18-15-11-13(21)7-9-17(15)22-19(12)18/h7,9,11-12,21H,4-6,8,10H2,1-3H3
InChIKeyLSPMJSWSYGOLFD-UHFFFAOYSA-N
XLogP6.00
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol?
The IUPAC name of 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol (CID 10935340) is 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol.
What is the SMILES notation for 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol?
The canonical SMILES for 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol is CC1CCC2=C(CCCC2(C)C)c2c1oc1ccc(O)cc21.
What is the InChIKey of 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol?
The InChIKey is LSPMJSWSYGOLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-12-6-8-16-14(5-4-10-20(16,2)3)18-15-11-13(21)7-9-17(15)22-19(12)18/h7,9,11-12,21H,4-6,8,10H2,1-3H3.
What are the key properties of 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol?
6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol has a molecular weight of 296.41 g/mol, XLogP of 6.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,10-trimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-16-ol is sourced from PubChem (CID 10935340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).