3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol

C12H21OSi+ — CID 167376774

IUPAC3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol
SMILESCC1=C[CH+]C([Si](C)(C)CCCO)C=C1
InChIInChI=1S/C12H21OSi/c1-11-5-7-12(8-6-11)14(2,3)10-4-9-13/h5-8,12-13H,4,9-10H2,1-3H3/q+1
InChIKeyULGPHMORGUKFJN-UHFFFAOYSA-N
MW209.39 g/mol
LogP3.17
Rot. Bonds4

About 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol

3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol (PubChem CID 167376774) has the molecular formula C12H21OSi+ and a molecular weight of 209.39 g/mol. Its IUPAC name is 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol.

Molecular Properties

Compound Name3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol
PubChem CID167376774
Molecular FormulaC12H21OSi+
Molecular Weight209.39 g/mol
Exact Mass209.14
IUPAC Name3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol
SMILESCC1=C[CH+]C([Si](C)(C)CCCO)C=C1
InChIInChI=1S/C12H21OSi/c1-11-5-7-12(8-6-11)14(2,3)10-4-9-13/h5-8,12-13H,4,9-10H2,1-3H3/q+1
InChIKeyULGPHMORGUKFJN-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol?
The IUPAC name of 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol (CID 167376774) is 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol.
What is the SMILES notation for 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol?
The canonical SMILES for 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol is CC1=C[CH+]C([Si](C)(C)CCCO)C=C1.
What is the InChIKey of 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol?
The InChIKey is ULGPHMORGUKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21OSi/c1-11-5-7-12(8-6-11)14(2,3)10-4-9-13/h5-8,12-13H,4,9-10H2,1-3H3/q+1.
What are the key properties of 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol?
3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol has a molecular weight of 209.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)silyl]propan-1-ol is sourced from PubChem (CID 167376774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).