(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane

C17H24OSi — CID 11807842

IUPAC(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(C)(C)CC#Cc1ccccc1
InChIInChI=1S/C17H24OSi/c1-15(18-19(4,5)6)17(2,3)14-10-13-16-11-8-7-9-12-16/h7-9,11-12H,1,14H2,2-6H3
InChIKeyAEIOMAXWNFKHPN-UHFFFAOYSA-N
MW272.46 g/mol
LogP4.82
Rot. Bonds4

About (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane

(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane (PubChem CID 11807842) has the molecular formula C17H24OSi and a molecular weight of 272.46 g/mol. Its IUPAC name is (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane
PubChem CID11807842
Molecular FormulaC17H24OSi
Molecular Weight272.46 g/mol
Exact Mass272.16
IUPAC Name(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(C)(C)CC#Cc1ccccc1
InChIInChI=1S/C17H24OSi/c1-15(18-19(4,5)6)17(2,3)14-10-13-16-11-8-7-9-12-16/h7-9,11-12H,1,14H2,2-6H3
InChIKeyAEIOMAXWNFKHPN-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl(5-phenylpent-1-en-4-yn-2-yl)silane
CID 101197462
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
2-methoxycarbonyl-2-methyl-5-phenylpent-4-ynoic acid
CID 114899644
ethyl 2-cyano-2-methyl-5-phenylpent-4-ynoate
CID 114290148
[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane
CID 101354563
2,2,5-triphenylpent-4-ynenitrile
CID 10402967
dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate
CID 11196924
4,4-bis(methoxymethyl)octa-1,6-diynylbenzene
CID 11369250
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
trimethylsilyl 2,2-dimethyl-3-phenylpropanoate
CID 102019506
2-methyl-2-(3-phenylprop-2-ynylsulfanyl)propanoic acid
CID 81222643
3,3-dimethoxybut-1-ynylbenzene
CID 14492597

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane?
The IUPAC name of (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane (CID 11807842) is (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane?
The canonical SMILES for (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane is C=C(O[Si](C)(C)C)C(C)(C)CC#Cc1ccccc1.
What is the InChIKey of (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane?
The InChIKey is AEIOMAXWNFKHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OSi/c1-15(18-19(4,5)6)17(2,3)14-10-13-16-11-8-7-9-12-16/h7-9,11-12H,1,14H2,2-6H3.
What are the key properties of (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane?
(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane has a molecular weight of 272.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 11807842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).