ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene

C27H42 — CID 158695222

IUPACethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
SMILESCC.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC=CC(C)c1ccccc1
InChIInChI=1S/C25H36.C2H6/c1-21(2)13-11-15-23(4)17-12-16-22(3)14-9-10-18-24(5)25-19-7-6-8-20-25;1-2/h6-8,10,13-14,17-20,24H,9,11-12,15-16H2,1-5H3;1-2H3/b18-10?,22-14+,23-17+;
InChIKeyIGVUORUXUZHSOO-RLGBTTNLSA-N
MW366.63 g/mol
LogP9.18
Rot. Bonds10

About ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene

ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene (PubChem CID 158695222) has the molecular formula C27H42 and a molecular weight of 366.63 g/mol. Its IUPAC name is ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
PubChem CID158695222
Molecular FormulaC27H42
Molecular Weight366.63 g/mol
Exact Mass366.33
IUPAC Nameethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
SMILESCC.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC=CC(C)c1ccccc1
InChIInChI=1S/C25H36.C2H6/c1-21(2)13-11-15-23(4)17-12-16-22(3)14-9-10-18-24(5)25-19-7-6-8-20-25;1-2/h6-8,10,13-14,17-20,24H,9,11-12,15-16H2,1-5H3;1-2H3/b18-10?,22-14+,23-17+;
InChIKeyIGVUORUXUZHSOO-RLGBTTNLSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
5-chloropent-3-en-2-ylbenzene
CID 71345200
2-(4,8,12-trimethyltrideca-3,7,11-trienylsulfanyl)benzoic acid
CID 72986215
4-phenylpent-2-enylbenzene
CID 72731182
N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide
CID 74403172
6,10-dimethyl-11-phenylundeca-5,9-dien-2-ol
CID 123873532
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene?
The IUPAC name of ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene (CID 158695222) is ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene.
What is the SMILES notation for ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene?
The canonical SMILES for ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene is CC.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC=CC(C)c1ccccc1.
What is the InChIKey of ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene?
The InChIKey is IGVUORUXUZHSOO-RLGBTTNLSA-N. The full InChI is InChI=1S/C25H36.C2H6/c1-21(2)13-11-15-23(4)17-12-16-22(3)14-9-10-18-24(5)25-19-7-6-8-20-25;1-2/h6-8,10,13-14,17-20,24H,9,11-12,15-16H2,1-5H3;1-2H3/b18-10?,22-14+,23-17+;.
What are the key properties of ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene?
ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene has a molecular weight of 366.63 g/mol, XLogP of 9.18, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene is sourced from PubChem (CID 158695222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).