[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate

C23H24O2 — CID 175047118

IUPAC[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
SMILESCC/C1=C(c2ccccc2)/C(c2ccccc2)=C(/OC=O)CCCC1
InChIInChI=1S/C23H24O2/c1-2-18-11-9-10-16-21(25-17-24)23(20-14-7-4-8-15-20)22(18)19-12-5-3-6-13-19/h3-8,12-15,17H,2,9-11,16H2,1H3/b22-18-,23-21+
InChIKeyNEXDDQVQRJMQAT-DUJMCHSFSA-N
MW332.44 g/mol
LogP6.01
Rot. Bonds5

About [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate

[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate (PubChem CID 175047118) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate.

Molecular Properties

Compound Name[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
PubChem CID175047118
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
SMILESCC/C1=C(c2ccccc2)/C(c2ccccc2)=C(/OC=O)CCCC1
InChIInChI=1S/C23H24O2/c1-2-18-11-9-10-16-21(25-17-24)23(20-14-7-4-8-15-20)22(18)19-12-5-3-6-13-19/h3-8,12-15,17H,2,9-11,16H2,1H3/b22-18-,23-21+
InChIKeyNEXDDQVQRJMQAT-DUJMCHSFSA-N
XLogP6.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate?
The IUPAC name of [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate (CID 175047118) is [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate.
What is the SMILES notation for [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate?
The canonical SMILES for [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate is CC/C1=C(c2ccccc2)/C(c2ccccc2)=C(/OC=O)CCCC1.
What is the InChIKey of [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate?
The InChIKey is NEXDDQVQRJMQAT-DUJMCHSFSA-N. The full InChI is InChI=1S/C23H24O2/c1-2-18-11-9-10-16-21(25-17-24)23(20-14-7-4-8-15-20)22(18)19-12-5-3-6-13-19/h3-8,12-15,17H,2,9-11,16H2,1H3/b22-18-,23-21+.
What are the key properties of [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate?
[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate has a molecular weight of 332.44 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate is sourced from PubChem (CID 175047118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).