2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene

C22H40 — CID 123882095

IUPAC2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
SMILESCC(=C(C)C(C)C(C)=C(C)C(C)C(C)=C(C)C(C)C)C(C)C
InChIInChI=1S/C22H40/c1-13(2)15(5)17(7)19(9)21(11)22(12)20(10)18(8)16(6)14(3)4/h13-14,19-20H,1-12H3
InChIKeyTZKPQPSPNWELMZ-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.58
Rot. Bonds6

About 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene

2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene (PubChem CID 123882095) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
PubChem CID123882095
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
SMILESCC(=C(C)C(C)C(C)=C(C)C(C)C(C)=C(C)C(C)C)C(C)C
InChIInChI=1S/C22H40/c1-13(2)15(5)17(7)19(9)21(11)22(12)20(10)18(8)16(6)14(3)4/h13-14,19-20H,1-12H3
InChIKeyTZKPQPSPNWELMZ-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.58
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

methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
2,3,4-trimethylpent-2-ene
CID 11270
methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
CID 162024182
(Z)-3,4-dimethylpent-2-ene-2-thiol
CID 176996545
(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
CID 161401294
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887
(3E)-2,4,5-trimethylhexa-1,3-dien-3-ol
CID 144743244
(Z)-2,3,4-trimethylpent-2-enoic acid
CID 59976239
2,4,5,6-tetramethylhept-4-en-3-one
CID 159203948
2,3,4,5,5,6-hexamethylhept-3-ene
CID 72591969
CID 155672770
CID 155672770
[(Z)-3,4-dimethylpent-2-en-2-yl]oxy-trimethylsilane
CID 134988122

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene?
The IUPAC name of 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene (CID 123882095) is 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene?
The canonical SMILES for 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene is CC(=C(C)C(C)C(C)=C(C)C(C)C(C)=C(C)C(C)C)C(C)C.
What is the InChIKey of 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene?
The InChIKey is TZKPQPSPNWELMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-13(2)15(5)17(7)19(9)21(11)22(12)20(10)18(8)16(6)14(3)4/h13-14,19-20H,1-12H3.
What are the key properties of 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene?
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene has a molecular weight of 304.56 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene is sourced from PubChem (CID 123882095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).