(E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol

C17H32OSi — CID 134981487

IUPAC(E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol
SMILESC/C(=C\CCC#C[Si](C(C)C)(C(C)C)C(C)C)CO
InChIInChI=1S/C17H32OSi/c1-14(2)19(15(3)4,16(5)6)12-10-8-9-11-17(7)13-18/h11,14-16,18H,8-9,13H2,1-7H3/b17-11+
InChIKeyCKGFVBWYBSTSQN-GZTJUZNOSA-N
MW280.53 g/mol
LogP4.93
Rot. Bonds6

About (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol

(E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol (PubChem CID 134981487) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol
PubChem CID134981487
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name(E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol
SMILESC/C(=C\CCC#C[Si](C(C)C)(C(C)C)C(C)C)CO
InChIInChI=1S/C17H32OSi/c1-14(2)19(15(3)4,16(5)6)12-10-8-9-11-17(7)13-18/h11,14-16,18H,8-9,13H2,1-7H3/b17-11+
InChIKeyCKGFVBWYBSTSQN-GZTJUZNOSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-7-trimethylsilylhept-2-en-6-yn-1-ol
CID 134981587
3,3-Difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 15495754
(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 13618185
(Z)-2-ethyl-5-trimethylsilylpent-2-en-4-yn-1-ol
CID 10749960
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 134864564
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012
(6Z,10Z)-7,11,15-trimethyl-1-trimethylsilylhexadeca-6,10,14-trien-1-yn-3-ol
CID 134880944
(E)-8-trimethylsilyloct-2-en-7-yn-1-ol
CID 134896986
(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 134955513

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol?
The IUPAC name of (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol (CID 134981487) is (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol.
What is the SMILES notation for (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol?
The canonical SMILES for (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol is C/C(=C\CCC#C[Si](C(C)C)(C(C)C)C(C)C)CO.
What is the InChIKey of (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol?
The InChIKey is CKGFVBWYBSTSQN-GZTJUZNOSA-N. The full InChI is InChI=1S/C17H32OSi/c1-14(2)19(15(3)4,16(5)6)12-10-8-9-11-17(7)13-18/h11,14-16,18H,8-9,13H2,1-7H3/b17-11+.
What are the key properties of (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol?
(E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol has a molecular weight of 280.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol is sourced from PubChem (CID 134981487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).