6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene

C19H34O2 — CID 129152034

IUPAC6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)COCCOC1=C(C(C)C)C(C)CC=C1C(C)C
InChIInChI=1S/C19H34O2/c1-13(2)12-20-10-11-21-19-17(14(3)4)9-8-16(7)18(19)15(5)6/h9,13-16H,8,10-12H2,1-7H3
InChIKeyMPAMRHGRWCOMHB-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.21
Rot. Bonds8

About 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene

6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene (PubChem CID 129152034) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene
PubChem CID129152034
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)COCCOC1=C(C(C)C)C(C)CC=C1C(C)C
InChIInChI=1S/C19H34O2/c1-13(2)12-20-10-11-21-19-17(14(3)4)9-8-16(7)18(19)15(5)6/h9,13-16H,8,10-12H2,1-7H3
InChIKeyMPAMRHGRWCOMHB-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.21
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 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene (CID 129152034) is 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene is CC(C)COCCOC1=C(C(C)C)C(C)CC=C1C(C)C.
What is the InChIKey of 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
The InChIKey is MPAMRHGRWCOMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-13(2)12-20-10-11-21-19-17(14(3)4)9-8-16(7)18(19)15(5)6/h9,13-16H,8,10-12H2,1-7H3.
What are the key properties of 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene has a molecular weight of 294.48 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 129152034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).