acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol

C15H30O4Si — CID 71380809

IUPACacetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol
SMILESCC(=CCO)CCC(O[Si](C)(C)C)=C(C)C.CC(=O)O
InChIInChI=1S/C13H26O2Si.C2H4O2/c1-11(2)13(15-16(4,5)6)8-7-12(3)9-10-14;1-2(3)4/h9,14H,7-8,10H2,1-6H3;1H3,(H,3,4)
InChIKeyKCSGGSIYEANQIJ-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.94
Rot. Bonds6

About acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol

acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol (PubChem CID 71380809) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol.

Molecular Properties

Compound Nameacetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol
PubChem CID71380809
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameacetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol
SMILESCC(=CCO)CCC(O[Si](C)(C)C)=C(C)C.CC(=O)O
InChIInChI=1S/C13H26O2Si.C2H4O2/c1-11(2)13(15-16(4,5)6)8-7-12(3)9-10-14;1-2(3)4/h9,14H,7-8,10H2,1-6H3;1H3,(H,3,4)
InChIKeyKCSGGSIYEANQIJ-UHFFFAOYSA-N
XLogP3.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl (E)-6-hydroxy-4-methylhex-4-enoate
CID 5362872
(5Z,8Z)-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one
CID 102462624
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71342470
(E)-but-2-enoic acid;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 175185571
8-hydroxy-2,6-dimethyloct-6-en-3-one
CID 54166148
3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026
acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848
acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol
CID 71345657

Frequently Asked Questions

What is the IUPAC name of acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol?
The IUPAC name of acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol (CID 71380809) is acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol.
What is the SMILES notation for acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol?
The canonical SMILES for acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol is CC(=CCO)CCC(O[Si](C)(C)C)=C(C)C.CC(=O)O.
What is the InChIKey of acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol?
The InChIKey is KCSGGSIYEANQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si.C2H4O2/c1-11(2)13(15-16(4,5)6)8-7-12(3)9-10-14;1-2(3)4/h9,14H,7-8,10H2,1-6H3;1H3,(H,3,4).
What are the key properties of acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol?
acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol has a molecular weight of 302.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3,7-dimethyl-6-trimethylsilyloxyocta-2,6-dien-1-ol is sourced from PubChem (CID 71380809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).