17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol

C23H14O3 — CID 144608282

IUPAC17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol
SMILESCc1ccc2oc3ccc4c(ccc5oc6ccc(O)cc6c54)c3c2c1
InChIInChI=1S/C23H14O3/c1-12-2-6-18-16(10-12)22-14-4-9-21-23(15(14)5-8-20(22)25-18)17-11-13(24)3-7-19(17)26-21/h2-11,24H,1H3
InChIKeyAVJIJBNQELVBAG-UHFFFAOYSA-N
MW338.36 g/mol
LogP6.65
Rot. Bonds

About 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol

17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol (PubChem CID 144608282) has the molecular formula C23H14O3 and a molecular weight of 338.36 g/mol. Its IUPAC name is 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol.

Molecular Properties

Compound Name17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol
PubChem CID144608282
Molecular FormulaC23H14O3
Molecular Weight338.36 g/mol
Exact Mass338.09
IUPAC Name17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol
SMILESCc1ccc2oc3ccc4c(ccc5oc6ccc(O)cc6c54)c3c2c1
InChIInChI=1S/C23H14O3/c1-12-2-6-18-16(10-12)22-14-4-9-21-23(15(14)5-8-20(22)25-18)17-11-13(24)3-7-19(17)26-21/h2-11,24H,1H3
InChIKeyAVJIJBNQELVBAG-UHFFFAOYSA-N
XLogP6.65
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol?
The IUPAC name of 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol (CID 144608282) is 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol.
What is the SMILES notation for 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol?
The canonical SMILES for 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol is Cc1ccc2oc3ccc4c(ccc5oc6ccc(O)cc6c54)c3c2c1.
What is the InChIKey of 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol?
The InChIKey is AVJIJBNQELVBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3/c1-12-2-6-18-16(10-12)22-14-4-9-21-23(15(14)5-8-20(22)25-18)17-11-13(24)3-7-19(17)26-21/h2-11,24H,1H3.
What are the key properties of 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol?
17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol has a molecular weight of 338.36 g/mol, XLogP of 6.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol is sourced from PubChem (CID 144608282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).