(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol

C10H22OSi — CID 10035353

IUPAC(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol
SMILESCCC[C@@H](O)[C@@H]1C[C@H]1[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-5-6-9(11)8-7-10(8)12(2,3)4/h8-11H,5-7H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyXVEMVNPSDAKFNW-IVZWLZJFSA-N
MW186.37 g/mol
LogP2.88
Rot. Bonds4

About (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol

(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol (PubChem CID 10035353) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol
PubChem CID10035353
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol
SMILESCCC[C@@H](O)[C@@H]1C[C@H]1[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-5-6-9(11)8-7-10(8)12(2,3)4/h8-11H,5-7H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyXVEMVNPSDAKFNW-IVZWLZJFSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
1-[(2S,3R)-2-phenyloxetan-3-yl]butan-1-ol
CID 101140305
1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
CID 174799868
1-(3,5-dimethylcyclohexyl)butan-1-ol
CID 64729676
2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 23443060
(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol
CID 145143937
2-(1-hydroxybutyl)oxan-4-ol
CID 123732929
1-(8-azabicyclo[3.2.1]octan-3-yl)butan-1-ol
CID 105440841
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
bis(butane-1,1-diol);dihydrochloride
CID 173010024
butane-1,1-diol;hydrate
CID 87459661

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol?
The IUPAC name of (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol (CID 10035353) is (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol.
What is the SMILES notation for (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol?
The canonical SMILES for (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol is CCC[C@@H](O)[C@@H]1C[C@H]1[Si](C)(C)C.
What is the InChIKey of (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol?
The InChIKey is XVEMVNPSDAKFNW-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H22OSi/c1-5-6-9(11)8-7-10(8)12(2,3)4/h8-11H,5-7H2,1-4H3/t8-,9+,10+/m0/s1.
What are the key properties of (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol?
(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol has a molecular weight of 186.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol is sourced from PubChem (CID 10035353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).