methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene

C18H34 — CID 159897256

IUPACmethane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene
SMILESC.CC(C)=CCC/C(C)=C/C/C=C(\C)C(C)(C)C
InChIInChI=1S/C17H30.CH4/c1-14(2)10-8-11-15(3)12-9-13-16(4)17(5,6)7;/h10,12-13H,8-9,11H2,1-7H3;1H4/b15-12+,16-13+;
InChIKeyNVMQPJGYFGWUQH-WYGWYXPLSA-N
MW250.47 g/mol
LogP6.70
Rot. Bonds5

About methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene

methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene (PubChem CID 159897256) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene.

Molecular Properties

Compound Namemethane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene
PubChem CID159897256
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Namemethane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene
SMILESC.CC(C)=CCC/C(C)=C/C/C=C(\C)C(C)(C)C
InChIInChI=1S/C17H30.CH4/c1-14(2)10-8-11-15(3)12-9-13-16(4)17(5,6)7;/h10,12-13H,8-9,11H2,1-7H3;1H4/b15-12+,16-13+;
InChIKeyNVMQPJGYFGWUQH-WYGWYXPLSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.70
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

12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
2,2,6,10-tetramethylundeca-5,9-dien-3-one
CID 71393329
(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene
CID 10465989
2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
CID 54261017
(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
1-iodo-5,9-dimethyldeca-1,4,8-triene
CID 173018120

Frequently Asked Questions

What is the IUPAC name of methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene?
The IUPAC name of methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene (CID 159897256) is methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene.
What is the SMILES notation for methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene?
The canonical SMILES for methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene is C.CC(C)=CCC/C(C)=C/C/C=C(\C)C(C)(C)C.
What is the InChIKey of methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene?
The InChIKey is NVMQPJGYFGWUQH-WYGWYXPLSA-N. The full InChI is InChI=1S/C17H30.CH4/c1-14(2)10-8-11-15(3)12-9-13-16(4)17(5,6)7;/h10,12-13H,8-9,11H2,1-7H3;1H4/b15-12+,16-13+;.
What are the key properties of methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene?
methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene has a molecular weight of 250.47 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene is sourced from PubChem (CID 159897256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).