pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol

C18H10O — CID 10490347

IUPACpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol
SMILESOc1cc2c3c(ccc4ccc5cccc-2c5c43)c1
InChIInChI=1S/C18H10O/c19-13-8-12-7-6-11-5-4-10-2-1-3-14-15(9-13)17(12)18(11)16(10)14/h1-9,19H
InChIKeySCJAQVFYSVALQM-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.83
Rot. Bonds

About pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol

pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol (PubChem CID 10490347) has the molecular formula C18H10O and a molecular weight of 242.28 g/mol. Its IUPAC name is pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol.

Molecular Properties

Compound Namepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol
PubChem CID10490347
Molecular FormulaC18H10O
Molecular Weight242.28 g/mol
Exact Mass242.07
IUPAC Namepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol
SMILESOc1cc2c3c(ccc4ccc5cccc-2c5c43)c1
InChIInChI=1S/C18H10O/c19-13-8-12-7-6-11-5-4-10-2-1-3-14-15(9-13)17(12)18(11)16(10)14/h1-9,19H
InChIKeySCJAQVFYSVALQM-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol?
The IUPAC name of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol (CID 10490347) is pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol.
What is the SMILES notation for pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol?
The canonical SMILES for pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol is Oc1cc2c3c(ccc4ccc5cccc-2c5c43)c1.
What is the InChIKey of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol?
The InChIKey is SCJAQVFYSVALQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O/c19-13-8-12-7-6-11-5-4-10-2-1-3-14-15(9-13)17(12)18(11)16(10)14/h1-9,19H.
What are the key properties of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol?
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol has a molecular weight of 242.28 g/mol, XLogP of 4.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol is sourced from PubChem (CID 10490347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).