2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene

C30H56O2 — CID 140780753

IUPAC2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)(OCCCC(C)C)OCCCC(C)C
InChIInChI=1S/C30H56O2/c1-25(2)15-10-18-28(7)19-11-20-29(8)21-12-22-30(9,31-23-13-16-26(3)4)32-24-14-17-27(5)6/h15,19,21,26-27H,10-14,16-18,20,22-24H2,1-9H3
InChIKeyXXCJRCAEKFQTSB-UHFFFAOYSA-N
MW448.78 g/mol
LogP9.81
Rot. Bonds19

About 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene

2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene (PubChem CID 140780753) has the molecular formula C30H56O2 and a molecular weight of 448.78 g/mol. Its IUPAC name is 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene.

Molecular Properties

Compound Name2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene
PubChem CID140780753
Molecular FormulaC30H56O2
Molecular Weight448.78 g/mol
Exact Mass448.43
IUPAC Name2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)(OCCCC(C)C)OCCCC(C)C
InChIInChI=1S/C30H56O2/c1-25(2)15-10-18-28(7)19-11-20-29(8)21-12-22-30(9,31-23-13-16-26(3)4)32-24-14-17-27(5)6/h15,19,21,26-27H,10-14,16-18,20,22-24H2,1-9H3
InChIKeyXXCJRCAEKFQTSB-UHFFFAOYSA-N
XLogP9.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
CID 90239470
(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238479
6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 140695963
(5E,9E)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238470
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
CID 140695976
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
[(E)-2-hydroperoxy-6,10-dimethylundec-5-en-2-yl] nitrite
CID 163709313
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26-decaene
CID 163184444
(6E,8E,10E,12E,14E,16E,18Z,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26-undecaene
CID 52941755

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene?
The IUPAC name of 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene (CID 140780753) is 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene.
What is the SMILES notation for 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene?
The canonical SMILES for 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)(OCCCC(C)C)OCCCC(C)C.
What is the InChIKey of 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene?
The InChIKey is XXCJRCAEKFQTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O2/c1-25(2)15-10-18-28(7)19-11-20-29(8)21-12-22-30(9,31-23-13-16-26(3)4)32-24-14-17-27(5)6/h15,19,21,26-27H,10-14,16-18,20,22-24H2,1-9H3.
What are the key properties of 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene?
2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene has a molecular weight of 448.78 g/mol, XLogP of 9.81, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene is sourced from PubChem (CID 140780753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).