[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane

C20H38O2Si — CID 135079747

IUPAC[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane
SMILESC=CC(CC(C)C)O[Si](OC(/C=C/C)/C=C/C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-10-13-20(14-11-2)22-23(17(6)7,18(8)9)21-19(12-3)15-16(4)5/h10-14,16-20H,3,15H2,1-2,4-9H3/b13-10+,14-11+
InChIKeyJFTYWIMGQVAOLS-IFQMDVHZSA-N
MW338.61 g/mol
LogP6.40
Rot. Bonds11

About [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane

[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane (PubChem CID 135079747) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane.

Molecular Properties

Compound Name[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane
PubChem CID135079747
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane
SMILESC=CC(CC(C)C)O[Si](OC(/C=C/C)/C=C/C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-10-13-20(14-11-2)22-23(17(6)7,18(8)9)21-19(12-3)15-16(4)5/h10-14,16-20H,3,15H2,1-2,4-9H3/b13-10+,14-11+
InChIKeyJFTYWIMGQVAOLS-IFQMDVHZSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Tributylsilyloxyoct-3-ene
CID 5353200
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)isohexyloxy-
CID 91698238
Silane, dimethyl(undec-2-enyloxy)isohexyloxy-
CID 91698243
Silane, dimethyl(dodec-2-enyloxy)isohexyloxy-
CID 91698244
Silane, dimethyl(oct-3-en-2-yloxy)butoxy-
CID 91733091
Silane, dimethyl(oct-3-en-2-yloxy)pentyloxy-
CID 91734980

Frequently Asked Questions

What is the IUPAC name of [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane?
The IUPAC name of [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane (CID 135079747) is [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane.
What is the SMILES notation for [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane?
The canonical SMILES for [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane is C=CC(CC(C)C)O[Si](OC(/C=C/C)/C=C/C)(C(C)C)C(C)C.
What is the InChIKey of [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane?
The InChIKey is JFTYWIMGQVAOLS-IFQMDVHZSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-10-13-20(14-11-2)22-23(17(6)7,18(8)9)21-19(12-3)15-16(4)5/h10-14,16-20H,3,15H2,1-2,4-9H3/b13-10+,14-11+.
What are the key properties of [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane?
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane has a molecular weight of 338.61 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane is sourced from PubChem (CID 135079747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).