3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane

C12H24Si — CID 134861128

IUPAC3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane
SMILESC[Si](C)(C)CCC[C@H]1C=CCCC1
InChIInChI=1S/C12H24Si/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h5,8,12H,4,6-7,9-11H2,1-3H3/t12-/m0/s1
InChIKeyITSDKRCNIWDXMP-LBPRGKRZSA-N
MW196.41 g/mol
LogP4.46
Rot. Bonds4

About 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane

3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane (PubChem CID 134861128) has the molecular formula C12H24Si and a molecular weight of 196.41 g/mol. Its IUPAC name is 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane.

Molecular Properties

Compound Name3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane
PubChem CID134861128
Molecular FormulaC12H24Si
Molecular Weight196.41 g/mol
Exact Mass196.16
IUPAC Name3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane
SMILESC[Si](C)(C)CCC[C@H]1C=CCCC1
InChIInChI=1S/C12H24Si/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h5,8,12H,4,6-7,9-11H2,1-3H3/t12-/m0/s1
InChIKeyITSDKRCNIWDXMP-LBPRGKRZSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 54.46
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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Related Compounds

Cyclohexene, 3-propyl-
CID 138092
3-Butylcyclohex-1-ene
CID 138093
Chloro(2-(3-cyclohexen-1-yl)ethyl)dimethylsilane
CID 3538150
Cyclohexene, 4-(2-(dichloromethylsilyl)ethyl)-
CID 86631
4-Butylcyclohex-1-ene
CID 140845
Silane, triethyl-5-norbornen-2-yl-
CID 574755
Silane, bicyclo[2.2.1]hept-5-en-2-yltrimethyl-
CID 10329681
2-Trimethylsilylbicyclo [2.2.1]-hept-2,5-diene
CID 12578034
(3S)-3-propylcyclohexene
CID 53245654
[(E)-3-cyclohexylprop-2-enyl]-trimethylsilane
CID 11252579
[(Z)-3-cyclohexylprop-2-enyl]-trimethylsilane
CID 13215154
(E)-(2-cyclohexylvinyl)triethylsilane
CID 122203885

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane?
The IUPAC name of 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane (CID 134861128) is 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane.
What is the SMILES notation for 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane?
The canonical SMILES for 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane is C[Si](C)(C)CCC[C@H]1C=CCCC1.
What is the InChIKey of 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane?
The InChIKey is ITSDKRCNIWDXMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24Si/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h5,8,12H,4,6-7,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane?
3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane has a molecular weight of 196.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-cyclohex-2-en-1-yl]propyl-trimethylsilane is sourced from PubChem (CID 134861128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).