(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol

C16H32O2Si — CID 134979330

IUPAC(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol
SMILESC=C/C=C/C(O)CC[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-10-15(17)12-11-14(2)13-18-19(6,7)16(3,4)5/h8-10,14-15,17H,1,11-13H2,2-7H3/b10-9+/t14-,15?/m1/s1
InChIKeyCEFATHNFGNIBLU-WUBDYMMZSA-N
MW284.52 g/mol
LogP4.53
Rot. Bonds8

About (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol

(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol (PubChem CID 134979330) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol.

Molecular Properties

Compound Name(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol
PubChem CID134979330
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol
SMILESC=C/C=C/C(O)CC[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-10-15(17)12-11-14(2)13-18-19(6,7)16(3,4)5/h8-10,14-15,17H,1,11-13H2,2-7H3/b10-9+/t14-,15?/m1/s1
InChIKeyCEFATHNFGNIBLU-WUBDYMMZSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
CID 12771827
(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-1-en-3-ol
CID 16006964
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
CID 46180291

Frequently Asked Questions

What is the IUPAC name of (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol?
The IUPAC name of (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol (CID 134979330) is (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol.
What is the SMILES notation for (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol?
The canonical SMILES for (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol is C=C/C=C/C(O)CC[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol?
The InChIKey is CEFATHNFGNIBLU-WUBDYMMZSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-9-10-15(17)12-11-14(2)13-18-19(6,7)16(3,4)5/h8-10,14-15,17H,1,11-13H2,2-7H3/b10-9+/t14-,15?/m1/s1.
What are the key properties of (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol?
(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol has a molecular weight of 284.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol is sourced from PubChem (CID 134979330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).