[(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane

C16H32Si — CID 58105878

IUPAC[(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1C=C[C@H](C)CC1
InChIInChI=1S/C16H32Si/c1-12(2)17(13(3)4,14(5)6)16-10-8-15(7)9-11-16/h8,10,12-16H,9,11H2,1-7H3/t15-,16+/m0/s1
InChIKeyQVIUYLXVVHMRBM-JKSUJKDBSA-N
MW252.52 g/mol
LogP6.02
Rot. Bonds4

About [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane

[(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane (PubChem CID 58105878) has the molecular formula C16H32Si and a molecular weight of 252.52 g/mol. Its IUPAC name is [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane
PubChem CID58105878
Molecular FormulaC16H32Si
Molecular Weight252.52 g/mol
Exact Mass252.23
IUPAC Name[(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1C=C[C@H](C)CC1
InChIInChI=1S/C16H32Si/c1-12(2)17(13(3)4,14(5)6)16-10-8-15(7)9-11-16/h8,10,12-16H,9,11H2,1-7H3/t15-,16+/m0/s1
InChIKeyQVIUYLXVVHMRBM-JKSUJKDBSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.52
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane (CID 58105878) is [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)[C@@H]1C=C[C@H](C)CC1.
What is the InChIKey of [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane?
The InChIKey is QVIUYLXVVHMRBM-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H32Si/c1-12(2)17(13(3)4,14(5)6)16-10-8-15(7)9-11-16/h8,10,12-16H,9,11H2,1-7H3/t15-,16+/m0/s1.
What are the key properties of [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane?
[(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane has a molecular weight of 252.52 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 58105878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).