(1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane

C13H24Si — CID 174933442

IUPAC(1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)(C)C(C)([SiH3])C(C)=C1C
InChIInChI=1S/C13H24Si/c1-8-9(2)11(4)13(7,14)12(5,6)10(8)3/h1-7,14H3
InChIKeyAAECHHUVIJTLCB-UHFFFAOYSA-N
MW208.42 g/mol
LogP3.24
Rot. Bonds

About (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane

(1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane (PubChem CID 174933442) has the molecular formula C13H24Si and a molecular weight of 208.42 g/mol. Its IUPAC name is (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane
PubChem CID174933442
Molecular FormulaC13H24Si
Molecular Weight208.42 g/mol
Exact Mass208.16
IUPAC Name(1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)(C)C(C)([SiH3])C(C)=C1C
InChIInChI=1S/C13H24Si/c1-8-9(2)11(4)13(7,14)12(5,6)10(8)3/h1-7,14H3
InChIKeyAAECHHUVIJTLCB-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Octamethyl-1,3-cyclohexadiene
CID 600938
Hexamethylcyclohexadiene
CID 20678433
CID 91275282
CID 91275282
1,2,3,4,5,5,6-Heptamethylcyclohexa-1,3-diene
CID 14363714
3,5,5,6-Tetramethyl-4-propan-2-ylidenehept-2-ene;yttrium
CID 57805536
(3-Tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane
CID 123595211
1,2,3,4,5,5,6-Heptamethylcyclohexa-1,3-diene;yttrium
CID 149084654
(3-Tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane
CID 173122246
(5,5-Ditert-butyl-2,3-dimethylcyclopenta-1,3-dien-1-yl)silane;zirconium(3+);dichloride
CID 173236502
(2,3,3-Trimethylcyclopenten-1-yl)silane
CID 174514824
(2-Tert-butyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 174748128
(2,3,3-Trimethylcyclohexen-1-yl)silane
CID 174826269

Frequently Asked Questions

What is the IUPAC name of (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane?
The IUPAC name of (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane (CID 174933442) is (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane.
What is the SMILES notation for (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane?
The canonical SMILES for (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane is CC1=C(C)C(C)(C)C(C)([SiH3])C(C)=C1C.
What is the InChIKey of (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane?
The InChIKey is AAECHHUVIJTLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Si/c1-8-9(2)11(4)13(7,14)12(5,6)10(8)3/h1-7,14H3.
What are the key properties of (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane?
(1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane has a molecular weight of 208.42 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4,5,6,6-heptamethylcyclohexa-2,4-dien-1-yl)silane is sourced from PubChem (CID 174933442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).