2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane

C16H32OSi — CID 23265976

IUPAC2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane
SMILESC/C=C/CC/C=C/C[Si](C)(C)CCOCCCC
InChIInChI=1S/C16H32OSi/c1-5-7-9-10-11-12-15-18(3,4)16-14-17-13-8-6-2/h5,7,11-12H,6,8-10,13-16H2,1-4H3/b7-5+,12-11+
InChIKeyRRGFDLAYPBKLBO-MCZQWLMRSA-N
MW268.52 g/mol
LogP5.42
Rot. Bonds11

About 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane

2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane (PubChem CID 23265976) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane.

Molecular Properties

Compound Name2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane
PubChem CID23265976
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane
SMILESC/C=C/CC/C=C/C[Si](C)(C)CCOCCCC
InChIInChI=1S/C16H32OSi/c1-5-7-9-10-11-12-15-18(3,4)16-14-17-13-8-6-2/h5,7,11-12H,6,8-10,13-16H2,1-4H3/b7-5+,12-11+
InChIKeyRRGFDLAYPBKLBO-MCZQWLMRSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
tert-butyl-[(Z)-hex-4-enoxy]-dimethylsilane
CID 162397527
1,3-bis[(4E)-Hex-4-en-1-yloxy]-1,1,3,3-tetramethyldisiloxane
CID 91697780
(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
[(4Z,6E)-octa-4,6-dienoxy]-tri(propan-2-yl)silane
CID 15524989
[(4Z,6E)-deca-4,6-dienoxy]-tri(propan-2-yl)silane
CID 15524990
tert-butyl-[(Z)-6,6,7,7,8,8,8-heptadeuteriooct-4-enoxy]-dimethylsilane
CID 16104429
Tert-butyl-hex-4-enoxy-dimethylsilane
CID 85887289
tert-butyl-[(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienoxy]-dimethylsilane
CID 134830594
tert-butyl-dimethyl-[(4E,6E,8E,12E)-pentadeca-4,6,8,12,14-pentaenoxy]silane
CID 134866917
[(Z,3R)-3-methylhex-4-enoxy]-tri(propan-2-yl)silane
CID 134895482

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane?
The IUPAC name of 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane (CID 23265976) is 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane.
What is the SMILES notation for 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane?
The canonical SMILES for 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane is C/C=C/CC/C=C/C[Si](C)(C)CCOCCCC.
What is the InChIKey of 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane?
The InChIKey is RRGFDLAYPBKLBO-MCZQWLMRSA-N. The full InChI is InChI=1S/C16H32OSi/c1-5-7-9-10-11-12-15-18(3,4)16-14-17-13-8-6-2/h5,7,11-12H,6,8-10,13-16H2,1-4H3/b7-5+,12-11+.
What are the key properties of 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane?
2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane has a molecular weight of 268.52 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl-dimethyl-[(2E,6E)-octa-2,6-dienyl]silane is sourced from PubChem (CID 23265976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).