(3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol

C13H26OSi — CID 102506721

IUPAC(3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol
SMILESCC[C@@H](O)[C@@H](C)/C=C(C)/C=C/[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-13(14)12(3)10-11(2)8-9-15(4,5)6/h8-10,12-14H,7H2,1-6H3/b9-8+,11-10+/t12-,13+/m0/s1
InChIKeySWSGWRRAWMRFCE-SHDASSSZSA-N
MW226.44 g/mol
LogP3.77
Rot. Bonds5

About (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol

(3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol (PubChem CID 102506721) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name(3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol
PubChem CID102506721
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol
SMILESCC[C@@H](O)[C@@H](C)/C=C(C)/C=C/[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-13(14)12(3)10-11(2)8-9-15(4,5)6/h8-10,12-14H,7H2,1-6H3/b9-8+,11-10+/t12-,13+/m0/s1
InChIKeySWSGWRRAWMRFCE-SHDASSSZSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-2-methyl-6-trimethylsilylhex-5-en-3-ol
CID 13263808
5,7-Octadien-3-ol, 2,4,4,7-tetramethyl-, (E)-
CID 5368975
(3R,4R)-3,7-dimethylocta-1,6-dien-4-ol
CID 11615201
2-Methylocta-5,7-dien-3-ol
CID 12576353
2-Methyl-4-trimethylsilylhex-5-en-3-ol
CID 12793719
(1S,5R,6S)-5-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984254
(5R,6R,7Z)-2,6-dimethyl-6-trimethylsilylnona-2,3,7-trien-5-ol
CID 15722617
(1S,5R)-5-methyl-2-(1-trimethylsilylethenyl)cyclopent-2-en-1-ol
CID 72793131
(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 130944406
(4R,5R)-5,7-dimethylocta-1,6-dien-4-ol
CID 131230710
(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol
CID 134887155
tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane
CID 138970957

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol?
The IUPAC name of (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol (CID 102506721) is (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol.
What is the SMILES notation for (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol?
The canonical SMILES for (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol is CC[C@@H](O)[C@@H](C)/C=C(C)/C=C/[Si](C)(C)C.
What is the InChIKey of (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol?
The InChIKey is SWSGWRRAWMRFCE-SHDASSSZSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-13(14)12(3)10-11(2)8-9-15(4,5)6/h8-10,12-14H,7H2,1-6H3/b9-8+,11-10+/t12-,13+/m0/s1.
What are the key properties of (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol?
(3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol has a molecular weight of 226.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5E,7E)-4,6-dimethyl-8-trimethylsilylocta-5,7-dien-3-ol is sourced from PubChem (CID 102506721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).