(1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol

C11H20OSi — CID 58805435

IUPAC(1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol
SMILESC[C@H]1C=CC=C(C[Si](C)(C)C)[C@H]1O
InChIInChI=1S/C11H20OSi/c1-9-6-5-7-10(11(9)12)8-13(2,3)4/h5-7,9,11-12H,8H2,1-4H3/t9-,11-/m0/s1
InChIKeyBYPCPBJYSQITEJ-ONGXEEELSA-N
MW196.37 g/mol
LogP2.82
Rot. Bonds2

About (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol

(1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 58805435) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol
PubChem CID58805435
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol
SMILESC[C@H]1C=CC=C(C[Si](C)(C)C)[C@H]1O
InChIInChI=1S/C11H20OSi/c1-9-6-5-7-10(11(9)12)8-13(2,3)4/h5-7,9,11-12H,8H2,1-4H3/t9-,11-/m0/s1
InChIKeyBYPCPBJYSQITEJ-ONGXEEELSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol (CID 58805435) is (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol is C[C@H]1C=CC=C(C[Si](C)(C)C)[C@H]1O.
What is the InChIKey of (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is BYPCPBJYSQITEJ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20OSi/c1-9-6-5-7-10(11(9)12)8-13(2,3)4/h5-7,9,11-12H,8H2,1-4H3/t9-,11-/m0/s1.
What are the key properties of (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol?
(1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 196.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 58805435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).