[(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane

C14H26Sn — CID 11289944

IUPAC[(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane
SMILESCC/C=C(C)/C=C(C)/C=C(/C)[Sn](C)(C)C
InChIInChI=1S/C11H17.3CH3.Sn/c1-5-7-10(3)9-11(4)8-6-2;;;;/h7-9H,5H2,1-4H3;3*1H3;/b8-6?,10-7+,11-9+;;;;
InChIKeyDKTRAIJYOKKEAN-WATBBGSYSA-N
MW313.07 g/mol
LogP5.11
Rot. Bonds4

About [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane

[(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane (PubChem CID 11289944) has the molecular formula C14H26Sn and a molecular weight of 313.07 g/mol. Its IUPAC name is [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane
PubChem CID11289944
Molecular FormulaC14H26Sn
Molecular Weight313.07 g/mol
Exact Mass314.11
IUPAC Name[(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane
SMILESCC/C=C(C)/C=C(C)/C=C(/C)[Sn](C)(C)C
InChIInChI=1S/C11H17.3CH3.Sn/c1-5-7-10(3)9-11(4)8-6-2;;;;/h7-9H,5H2,1-4H3;3*1H3;/b8-6?,10-7+,11-9+;;;;
InChIKeyDKTRAIJYOKKEAN-WATBBGSYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.07
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
2,4,4-Trimethyl-2-pentene
CID 7869
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
1,3-Pentadiene, 2-methyl-
CID 14238
alpha-Ocimene
CID 5320249

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane?
The IUPAC name of [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane (CID 11289944) is [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane.
What is the SMILES notation for [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane?
The canonical SMILES for [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane is CC/C=C(C)/C=C(C)/C=C(/C)[Sn](C)(C)C.
What is the InChIKey of [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane?
The InChIKey is DKTRAIJYOKKEAN-WATBBGSYSA-N. The full InChI is InChI=1S/C11H17.3CH3.Sn/c1-5-7-10(3)9-11(4)8-6-2;;;;/h7-9H,5H2,1-4H3;3*1H3;/b8-6?,10-7+,11-9+;;;;.
What are the key properties of [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane?
[(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane has a molecular weight of 313.07 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E,6E)-4,6-dimethylnona-2,4,6-trien-2-yl]-trimethylstannane is sourced from PubChem (CID 11289944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).