pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol

C17H14O — CID 90482140

IUPACpentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
SMILESOC12Cc3ccccc3C3C(c4ccccc41)C32
InChIInChI=1S/C17H14O/c18-17-9-10-5-1-2-6-11(10)14-15(16(14)17)12-7-3-4-8-13(12)17/h1-8,14-16,18H,9H2
InChIKeyCWPZWBPNJQBXLL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.94
Rot. Bonds

About pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol

pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol (PubChem CID 90482140) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol.

Molecular Properties

Compound Namepentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
PubChem CID90482140
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Namepentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
SMILESOC12Cc3ccccc3C3C(c4ccccc41)C32
InChIInChI=1S/C17H14O/c18-17-9-10-5-1-2-6-11(10)14-15(16(14)17)12-7-3-4-8-13(12)17/h1-8,14-16,18H,9H2
InChIKeyCWPZWBPNJQBXLL-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
The IUPAC name of pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol (CID 90482140) is pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol.
What is the SMILES notation for pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
The canonical SMILES for pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol is OC12Cc3ccccc3C3C(c4ccccc41)C32.
What is the InChIKey of pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
The InChIKey is CWPZWBPNJQBXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-17-9-10-5-1-2-6-11(10)14-15(16(14)17)12-7-3-4-8-13(12)17/h1-8,14-16,18H,9H2.
What are the key properties of pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol?
pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol has a molecular weight of 234.30 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol is sourced from PubChem (CID 90482140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).