2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene

C26H48 — CID 123243891

IUPAC2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene
SMILESC=C(C)C=CC(C)C(C)C(CCC(C)C(C)C(C)CCCC)CC(=C)C
InChIInChI=1S/C26H48/c1-11-12-13-21(6)24(9)22(7)16-17-26(18-20(4)5)25(10)23(8)15-14-19(2)3/h14-15,21-26H,2,4,11-13,16-18H2,1,3,5-10H3
InChIKeyRACUUQIJPDFJAX-UHFFFAOYSA-N
MW360.67 g/mol
LogP8.85
Rot. Bonds14

About 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene

2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene (PubChem CID 123243891) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene.

Molecular Properties

Compound Name2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene
PubChem CID123243891
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene
SMILESC=C(C)C=CC(C)C(C)C(CCC(C)C(C)C(C)CCCC)CC(=C)C
InChIInChI=1S/C26H48/c1-11-12-13-21(6)24(9)22(7)16-17-26(18-20(4)5)25(10)23(8)15-14-19(2)3/h14-15,21-26H,2,4,11-13,16-18H2,1,3,5-10H3
InChIKeyRACUUQIJPDFJAX-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 14899752
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CID 145461999
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CID 11106169
3,6-dimethyl-4-propylhept-6-en-2-amine
CID 134183824
2,4,7,8,9-pentamethylundec-1-ene
CID 90965506
(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine
CID 171553943
2,4-dimethylnon-1-ene
CID 55268908
3,6,7,8-tetramethyltridecane
CID 123428805
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907
(E)-5-hydroxy-6-methyldec-3-en-2-one
CID 87292051
6,7,8,9-tetramethyltetradec-1-ene
CID 57142635

Frequently Asked Questions

What is the IUPAC name of 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene?
The IUPAC name of 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene (CID 123243891) is 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene.
What is the SMILES notation for 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene?
The canonical SMILES for 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene is C=C(C)C=CC(C)C(C)C(CCC(C)C(C)C(C)CCCC)CC(=C)C.
What is the InChIKey of 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene?
The InChIKey is RACUUQIJPDFJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48/c1-11-12-13-21(6)24(9)22(7)16-17-26(18-20(4)5)25(10)23(8)15-14-19(2)3/h14-15,21-26H,2,4,11-13,16-18H2,1,3,5-10H3.
What are the key properties of 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene?
2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene has a molecular weight of 360.67 g/mol, XLogP of 8.85, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene is sourced from PubChem (CID 123243891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).