(1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol

C11H18OSi — CID 59730956

IUPAC(1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol
SMILESC=C[Si](C)(C)C1=CC=C[C@H](C)[C@@H]1O
InChIInChI=1S/C11H18OSi/c1-5-13(3,4)10-8-6-7-9(2)11(10)12/h5-9,11-12H,1H2,2-4H3/t9-,11-/m0/s1
InChIKeyNOTXNCGQHJUPMR-ONGXEEELSA-N
MW194.35 g/mol
LogP2.45
Rot. Bonds2

About (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol

(1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 59730956) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID59730956
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name(1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol
SMILESC=C[Si](C)(C)C1=CC=C[C@H](C)[C@@H]1O
InChIInChI=1S/C11H18OSi/c1-5-13(3,4)10-8-6-7-9(2)11(10)12/h5-9,11-12H,1H2,2-4H3/t9-,11-/m0/s1
InChIKeyNOTXNCGQHJUPMR-ONGXEEELSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 12935881
6-Methylcyclohexa-2,4-dien-1-ol
CID 21525079
3-Isopropyl-6-methyl-2,4-cyclohexadienol
CID 23451444
4-Propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
6-[Tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol
CID 140981349
(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341
(5E)-3-trimethylsilylhepta-1,5-dien-4-ol
CID 13039868
(1E,3R,5Z)-1-trimethylsilylocta-1,5-dien-3-ol
CID 14445782
(3Z,5E)-6-trimethylsilylhexa-3,5-dien-2-ol
CID 14742100
(5R,6R,7Z)-2,6-dimethyl-6-trimethylsilylnona-2,3,7-trien-5-ol
CID 15722617
(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
(2E,4Z,6Z,8S,9S,10E)-13-[tert-butyl(dimethyl)silyl]oxy-4,6,8,11-tetramethyltrideca-2,4,6,10-tetraene-1,9-diol
CID 46180292

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol (CID 59730956) is (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol is C=C[Si](C)(C)C1=CC=C[C@H](C)[C@@H]1O.
What is the InChIKey of (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is NOTXNCGQHJUPMR-ONGXEEELSA-N. The full InChI is InChI=1S/C11H18OSi/c1-5-13(3,4)10-8-6-7-9(2)11(10)12/h5-9,11-12H,1H2,2-4H3/t9-,11-/m0/s1.
What are the key properties of (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol?
(1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 194.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 59730956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).