(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene

C28H48 — CID 58292421

IUPAC(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene
SMILESC=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\CC(C)C
InChIInChI=1S/C28H48/c1-23(2)13-12-15-26(6)18-19-27(7)20-22-28(8,9)21-11-10-14-25(5)17-16-24(3)4/h11,13,17-18,21,24H,7,10,12,14-16,19-20,22H2,1-6,8-9H3/b21-11+,25-17-,26-18+
InChIKeyYEOKWEKNJHQQKZ-SGESSELNSA-N
MW384.69 g/mol
LogP9.76
Rot. Bonds14

About (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene

(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene (PubChem CID 58292421) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene.

Molecular Properties

Compound Name(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene
PubChem CID58292421
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene
SMILESC=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\CC(C)C
InChIInChI=1S/C28H48/c1-23(2)13-12-15-26(6)18-19-27(7)20-22-28(8,9)21-11-10-14-25(5)17-16-24(3)4/h11,13,17-18,21,24H,7,10,12,14-16,19-20,22H2,1-6,8-9H3/b21-11+,25-17-,26-18+
InChIKeyYEOKWEKNJHQQKZ-SGESSELNSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene with MolForge

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Related Compounds

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(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
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(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
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(6E,11E,18E)-2,6,10,19,23-pentamethyl-15-methylidenetetracosa-2,6,11,18,22-pentaene
CID 162475328
2,2,6,10-tetramethylundeca-5,9-dien-3-one
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(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
CID 101024695
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
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Frequently Asked Questions

What is the IUPAC name of (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene?
The IUPAC name of (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene (CID 58292421) is (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene.
What is the SMILES notation for (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene?
The canonical SMILES for (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene is C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\CC(C)C.
What is the InChIKey of (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene?
The InChIKey is YEOKWEKNJHQQKZ-SGESSELNSA-N. The full InChI is InChI=1S/C28H48/c1-23(2)13-12-15-26(6)18-19-27(7)20-22-28(8,9)21-11-10-14-25(5)17-16-24(3)4/h11,13,17-18,21,24H,7,10,12,14-16,19-20,22H2,1-6,8-9H3/b21-11+,25-17-,26-18+.
What are the key properties of (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene?
(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene has a molecular weight of 384.69 g/mol, XLogP of 9.76, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene is sourced from PubChem (CID 58292421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).