1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate

C21H16O2 — CID 174467896

IUPAC1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate
SMILESCC(OC=O)c1ccc2cccc3cc4ccccc4cc3c1-2
InChIInChI=1S/C21H16O2/c1-14(23-13-22)19-10-9-15-7-4-8-18-11-16-5-2-3-6-17(16)12-20(18)21(15)19/h2-14H,1H3
InChIKeyFCKBKOSFNUVERN-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.33
Rot. Bonds3

About 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate

1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate (PubChem CID 174467896) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate.

Molecular Properties

Compound Name1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate
PubChem CID174467896
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate
SMILESCC(OC=O)c1ccc2cccc3cc4ccccc4cc3c1-2
InChIInChI=1S/C21H16O2/c1-14(23-13-22)19-10-9-15-7-4-8-18-11-16-5-2-3-6-17(16)12-20(18)21(15)19/h2-14H,1H3
InChIKeyFCKBKOSFNUVERN-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6,13-bis(4-phenylphenyl)pentacene;ruthenium
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[(1R)-1-phenylethyl] formate
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2-tert-butyl-1-(4-phenylphenyl)anthracene
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CID 148923843
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
1,2-diphenylpentacene
CID 22247158
1,2,3,4-tetrakis(4-propan-2-ylphenyl)anthracene
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anthracen-1-ylmethyl formate
CID 54364674
2-anthracen-1-ylpropanoic acid
CID 57031488

Frequently Asked Questions

What is the IUPAC name of 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate?
The IUPAC name of 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate (CID 174467896) is 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate.
What is the SMILES notation for 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate?
The canonical SMILES for 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate is CC(OC=O)c1ccc2cccc3cc4ccccc4cc3c1-2.
What is the InChIKey of 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate?
The InChIKey is FCKBKOSFNUVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c1-14(23-13-22)19-10-9-15-7-4-8-18-11-16-5-2-3-6-17(16)12-20(18)21(15)19/h2-14H,1H3.
What are the key properties of 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate?
1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate has a molecular weight of 300.36 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate is sourced from PubChem (CID 174467896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).