(2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane

C18H33FOSi — CID 123969334

IUPAC(2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
SMILESCC1=CC(C)C(CO[Si](C(C)C)(C(C)C)C(C)C)C(F)=C1
InChIInChI=1S/C18H33FOSi/c1-12(2)21(13(3)4,14(5)6)20-11-17-16(8)9-15(7)10-18(17)19/h9-10,12-14,16-17H,11H2,1-8H3
InChIKeyPYUHRFLUSKIBOF-UHFFFAOYSA-N
MW312.55 g/mol
LogP6.24
Rot. Bonds6

About (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane

(2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane (PubChem CID 123969334) has the molecular formula C18H33FOSi and a molecular weight of 312.55 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
PubChem CID123969334
Molecular FormulaC18H33FOSi
Molecular Weight312.55 g/mol
Exact Mass312.23
IUPAC Name(2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
SMILESCC1=CC(C)C(CO[Si](C(C)C)(C(C)C)C(C)C)C(F)=C1
InChIInChI=1S/C18H33FOSi/c1-12(2)21(13(3)4,14(5)6)20-11-17-16(8)9-15(7)10-18(17)19/h9-10,12-14,16-17H,11H2,1-8H3
InChIKeyPYUHRFLUSKIBOF-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
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 (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane (CID 123969334) is (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane is CC1=CC(C)C(CO[Si](C(C)C)(C(C)C)C(C)C)C(F)=C1.
What is the InChIKey of (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The InChIKey is PYUHRFLUSKIBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FOSi/c1-12(2)21(13(3)4,14(5)6)20-11-17-16(8)9-15(7)10-18(17)19/h9-10,12-14,16-17H,11H2,1-8H3.
What are the key properties of (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
(2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane has a molecular weight of 312.55 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 123969334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).