5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene

C19H28O2 — CID 67747666

IUPAC5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene
SMILESCC1(OCCCCCOC2(C)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C19H28O2/c1-18(12-6-3-7-13-18)20-16-10-5-11-17-21-19(2)14-8-4-9-15-19/h3-4,6-9,12,14H,5,10-11,13,15-17H2,1-2H3
InChIKeyNLWQNCQXCIIBPF-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.74
Rot. Bonds8

About 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene

5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene (PubChem CID 67747666) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene
PubChem CID67747666
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene
SMILESCC1(OCCCCCOC2(C)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C19H28O2/c1-18(12-6-3-7-13-18)20-16-10-5-11-17-21-19(2)14-8-4-9-15-19/h3-4,6-9,12,14H,5,10-11,13,15-17H2,1-2H3
InChIKeyNLWQNCQXCIIBPF-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene (CID 67747666) is 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene is CC1(OCCCCCOC2(C)C=CC=CC2)C=CC=CC1.
What is the InChIKey of 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene?
The InChIKey is NLWQNCQXCIIBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-18(12-6-3-7-13-18)20-16-10-5-11-17-21-19(2)14-8-4-9-15-19/h3-4,6-9,12,14H,5,10-11,13,15-17H2,1-2H3.
What are the key properties of 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene?
5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene has a molecular weight of 288.43 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[5-(1-methylcyclohexa-2,4-dien-1-yl)oxypentoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 67747666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).