(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene

C26H48O2 — CID 90239470

IUPAC(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(OCC(C)C)OCC(C)C
InChIInChI=1S/C26H48O2/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9,27-19-22(3)4)28-20-23(5)6/h13,15,17,22-23H,10-12,14,16,18-20H2,1-9H3/b24-15+,25-17+
InChIKeyDFAWPSKOOHFDCX-WXCFVEPLSA-N
MW392.67 g/mol
LogP8.25
Rot. Bonds15

About (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene

(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene (PubChem CID 90239470) has the molecular formula C26H48O2 and a molecular weight of 392.67 g/mol. Its IUPAC name is (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene.

Molecular Properties

Compound Name(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
PubChem CID90239470
Molecular FormulaC26H48O2
Molecular Weight392.67 g/mol
Exact Mass392.37
IUPAC Name(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(OCC(C)C)OCC(C)C
InChIInChI=1S/C26H48O2/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9,27-19-22(3)4)28-20-23(5)6/h13,15,17,22-23H,10-12,14,16,18-20H2,1-9H3/b24-15+,25-17+
InChIKeyDFAWPSKOOHFDCX-WXCFVEPLSA-N
XLogP8.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene
CID 140780753
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(5E,9E)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238470
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 140695963
(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238479

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene?
The IUPAC name of (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene (CID 90239470) is (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene.
What is the SMILES notation for (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene?
The canonical SMILES for (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(OCC(C)C)OCC(C)C.
What is the InChIKey of (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene?
The InChIKey is DFAWPSKOOHFDCX-WXCFVEPLSA-N. The full InChI is InChI=1S/C26H48O2/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9,27-19-22(3)4)28-20-23(5)6/h13,15,17,22-23H,10-12,14,16,18-20H2,1-9H3/b24-15+,25-17+.
What are the key properties of (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene?
(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene has a molecular weight of 392.67 g/mol, XLogP of 8.25, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene is sourced from PubChem (CID 90239470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).