2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate

C21H34O2 — CID 54098411

IUPAC2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)OC=O
InChIInChI=1S/C21H34O2/c1-17(2)9-7-11-19(5)13-14-21(23-16-22)15-20(6)12-8-10-18(3)4/h9-10,13,15-16,21H,7-8,11-12,14H2,1-6H3
InChIKeyMYUKDFBMOARNAW-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.30
Rot. Bonds11

About 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate

2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate (PubChem CID 54098411) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate.

Molecular Properties

Compound Name2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate
PubChem CID54098411
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)OC=O
InChIInChI=1S/C21H34O2/c1-17(2)9-7-11-19(5)13-14-21(23-16-22)15-20(6)12-8-10-18(3)4/h9-10,13,15-16,21H,7-8,11-12,14H2,1-6H3
InChIKeyMYUKDFBMOARNAW-UHFFFAOYSA-N
XLogP6.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate?
The IUPAC name of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate (CID 54098411) is 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate.
What is the SMILES notation for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate?
The canonical SMILES for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate is CC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)OC=O.
What is the InChIKey of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate?
The InChIKey is MYUKDFBMOARNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-17(2)9-7-11-19(5)13-14-21(23-16-22)15-20(6)12-8-10-18(3)4/h9-10,13,15-16,21H,7-8,11-12,14H2,1-6H3.
What are the key properties of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate?
2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate has a molecular weight of 318.50 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl formate is sourced from PubChem (CID 54098411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).