(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene

C66H120 — CID 163844448

IUPAC(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
SMILESCC(C)=CCC(C)(C)C.CC(C)=CCC/C(C)=C/CC(C)(C)C.CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC(C)(C)C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CC(C)(C)C
InChIInChI=1S/C24H42.C19H34.C14H26.C9H18/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-24(6,7)8;1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7;1-12(2)8-7-9-13(3)10-11-14(4,5)6;1-8(2)6-7-9(3,4)5/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3;10,12,14H,8-9,11,13,15H2,1-7H3;8,10H,7,9,11H2,1-6H3;6H,7H2,1-5H3/b21-14+,22-16-,23-18+;17-12-,18-14+;13-10+;
InChIKeyOOXIJGYQJJRLIR-GDAXQKFGSA-N
MW913.69 g/mol
LogP23.91
Rot. Bonds22

About (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene

(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene (PubChem CID 163844448) has the molecular formula C66H120 and a molecular weight of 913.69 g/mol. Its IUPAC name is (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene.

Molecular Properties

Compound Name(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
PubChem CID163844448
Molecular FormulaC66H120
Molecular Weight913.69 g/mol
Exact Mass912.94
IUPAC Name(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
SMILESCC(C)=CCC(C)(C)C.CC(C)=CCC/C(C)=C/CC(C)(C)C.CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC(C)(C)C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CC(C)(C)C
InChIInChI=1S/C24H42.C19H34.C14H26.C9H18/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-24(6,7)8;1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7;1-12(2)8-7-9-13(3)10-11-14(4,5)6;1-8(2)6-7-9(3,4)5/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3;10,12,14H,8-9,11,13,15H2,1-7H3;8,10H,7,9,11H2,1-6H3;6H,7H2,1-5H3/b21-14+,22-16-,23-18+;17-12-,18-14+;13-10+;
InChIKeyOOXIJGYQJJRLIR-GDAXQKFGSA-N
XLogP23.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.69
LogP ≤ 523.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene with MolForge

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Related Compounds

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(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
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(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
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(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
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CID 143275958
(Z)-2,2,4,7,7-pentamethyloct-4-ene;(E)-2,2,4,7,7-pentamethyloct-4-ene;2,5,5-trimethylhex-2-ene
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(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
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(4E,8E)-4,8,11,11-tetramethyldodeca-4,8-dienal;(5E,9E)-5,9,12,12-tetramethyltrideca-5,9-dien-2-one
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Frequently Asked Questions

What is the IUPAC name of (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene?
The IUPAC name of (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene (CID 163844448) is (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene.
What is the SMILES notation for (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene?
The canonical SMILES for (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene is CC(C)=CCC(C)(C)C.CC(C)=CCC/C(C)=C/CC(C)(C)C.CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC(C)(C)C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CC(C)(C)C.
What is the InChIKey of (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene?
The InChIKey is OOXIJGYQJJRLIR-GDAXQKFGSA-N. The full InChI is InChI=1S/C24H42.C19H34.C14H26.C9H18/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-24(6,7)8;1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7;1-12(2)8-7-9-13(3)10-11-14(4,5)6;1-8(2)6-7-9(3,4)5/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3;10,12,14H,8-9,11,13,15H2,1-7H3;8,10H,7,9,11H2,1-6H3;6H,7H2,1-5H3/b21-14+,22-16-,23-18+;17-12-,18-14+;13-10+;.
What are the key properties of (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene?
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene has a molecular weight of 913.69 g/mol, XLogP of 23.91, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene is sourced from PubChem (CID 163844448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).