7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol

C19H32O2Si — CID 164666342

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol
SMILESC=C(C#CCCC(C=C=CCC)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C19H32O2Si/c1-8-9-10-14-18(15-12-11-13-17(2)16-20)21-22(6,7)19(3,4)5/h9,14,18,20H,2,8,12,15-16H2,1,3-7H3
InChIKeyMRGRMDDHWUFTIP-UHFFFAOYSA-N
MW320.55 g/mol
LogP4.83
Rot. Bonds7

About 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol

7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol (PubChem CID 164666342) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol
PubChem CID164666342
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol
SMILESC=C(C#CCCC(C=C=CCC)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C19H32O2Si/c1-8-9-10-14-18(15-12-11-13-17(2)16-20)21-22(6,7)19(3,4)5/h9,14,18,20H,2,8,12,15-16H2,1,3-7H3
InChIKeyMRGRMDDHWUFTIP-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-7-(Trimethylsilyl)hept-1-en-6-yne-3,5-diol
CID 56924135
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol
CID 134880408
(6Z,10Z)-7,11,15-trimethyl-1-trimethylsilylhexadeca-6,10,14-trien-1-yn-3-ol
CID 134880944
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
CID 134968749
5-Methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
CID 135073378
(E,2S,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-5-methyldec-5-en-3-yne-2,8-diol
CID 166448938
(3R,4S)-5-methyl-4-tri(propan-2-yl)silyloxyhexa-1,5-dien-3-ol
CID 176435605
2-Methyl-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 14110518
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-1-en-6-yn-3-ol
CID 57389168

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol (CID 164666342) is 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol is C=C(C#CCCC(C=C=CCC)O[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol?
The InChIKey is MRGRMDDHWUFTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-9-10-14-18(15-12-11-13-17(2)16-20)21-22(6,7)19(3,4)5/h9,14,18,20H,2,8,12,15-16H2,1,3-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol?
7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol has a molecular weight of 320.55 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol is sourced from PubChem (CID 164666342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).