6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

C27H34O2 — CID 20658762

IUPAC6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCc1cc2c(cc1/C=C1/CCCc3cc(COO)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C27H34O2/c1-18-13-24-25(27(4,5)12-11-26(24,2)3)16-22(18)15-21-8-6-7-20-14-19(17-29-28)9-10-23(20)21/h9-10,13-16,28H,6-8,11-12,17H2,1-5H3/b21-15-
InChIKeyDUAQLXSCFVUBLE-QNGOZBTKSA-N
MW390.57 g/mol
LogP7.21
Rot. Bonds3

About 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (PubChem CID 20658762) has the molecular formula C27H34O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
PubChem CID20658762
Molecular FormulaC27H34O2
Molecular Weight390.57 g/mol
Exact Mass390.26
IUPAC Name6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCc1cc2c(cc1/C=C1/CCCc3cc(COO)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C27H34O2/c1-18-13-24-25(27(4,5)12-11-26(24,2)3)16-22(18)15-21-8-6-7-20-14-19(17-29-28)9-10-23(20)21/h9-10,13-16,28H,6-8,11-12,17H2,1-5H3/b21-15-
InChIKeyDUAQLXSCFVUBLE-QNGOZBTKSA-N
XLogP7.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (CID 20658762) is 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is Cc1cc2c(cc1/C=C1/CCCc3cc(COO)ccc31)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is DUAQLXSCFVUBLE-QNGOZBTKSA-N. The full InChI is InChI=1S/C27H34O2/c1-18-13-24-25(27(4,5)12-11-26(24,2)3)16-22(18)15-21-8-6-7-20-14-19(17-29-28)9-10-23(20)21/h9-10,13-16,28H,6-8,11-12,17H2,1-5H3/b21-15-.
What are the key properties of 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 390.57 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-[6-(hydroperoxymethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 20658762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).