5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate

C28H26O2 — CID 176879726

IUPAC5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
SMILESCC1C2c3ccccc3C(c3ccccc32)C1C(=O)Oc1cccc2c1CCCC2
InChIInChI=1S/C28H26O2/c1-17-25-20-12-4-6-14-22(20)27(23-15-7-5-13-21(23)25)26(17)28(29)30-24-16-8-10-18-9-2-3-11-19(18)24/h4-8,10,12-17,25-27H,2-3,9,11H2,1H3
InChIKeyQHIHBQYGYBGUHI-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.01
Rot. Bonds2

About 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate

5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate (PubChem CID 176879726) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
PubChem CID176879726
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
SMILESCC1C2c3ccccc3C(c3ccccc32)C1C(=O)Oc1cccc2c1CCCC2
InChIInChI=1S/C28H26O2/c1-17-25-20-12-4-6-14-22(20)27(23-15-7-5-13-21(23)25)26(17)28(29)30-24-16-8-10-18-9-2-3-11-19(18)24/h4-8,10,12-17,25-27H,2-3,9,11H2,1H3
InChIKeyQHIHBQYGYBGUHI-UHFFFAOYSA-N
XLogP6.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate with MolForge

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Related Compounds

5,6,7,8-tetrahydronaphthalen-1-yl 16-(1-hydroxynaphthalen-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879335
5,6,7,8-tetrahydronaphthalen-1-yl 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879398
phenyl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879243
5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate
CID 82118328
15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl 2-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethoxy]acetate
CID 176879623
5,6,7,8-tetrahydronaphthalen-1-yl 5-oxo-2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 176879801
2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 116821081
4-[16-(2-cyclohexyloxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl]oxy-5,6,7,8-tetrahydronaphthalene-1-sulfonate
CID 176879560
2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate
CID 70624241
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
2,3-dihydro-1H-inden-4-yl 4-tert-butyl-3-methylbenzoate
CID 130395698
5,6,7,8-tetrahydronaphthalen-1-yl 5-carbamoylpyridine-3-carboxylate
CID 86786625

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate (CID 176879726) is 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate is CC1C2c3ccccc3C(c3ccccc32)C1C(=O)Oc1cccc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The InChIKey is QHIHBQYGYBGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-17-25-20-12-4-6-14-22(20)27(23-15-7-5-13-21(23)25)26(17)28(29)30-24-16-8-10-18-9-2-3-11-19(18)24/h4-8,10,12-17,25-27H,2-3,9,11H2,1H3.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate has a molecular weight of 394.51 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate is sourced from PubChem (CID 176879726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).