(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol

C25H36O2Si — CID 11133052

IUPAC(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol
SMILESCC(C)C[C@H](O)[C@@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-19(2)16-24(26)23-17-20(23)18-27-28(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23-24,26H,16-18H2,1-5H3/t20-,23+,24-/m0/s1
InChIKeyDCZQJZJUTBBXLM-ZTCOLXNVSA-N
MW396.65 g/mol
LogP4.61
Rot. Bonds8

About (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol

(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol (PubChem CID 11133052) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol
PubChem CID11133052
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Name(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol
SMILESCC(C)C[C@H](O)[C@@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-19(2)16-24(26)23-17-20(23)18-27-28(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23-24,26H,16-18H2,1-5H3/t20-,23+,24-/m0/s1
InChIKeyDCZQJZJUTBBXLM-ZTCOLXNVSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
CID 122220290
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium
CID 174054652
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
(NE,R)-N-[(2R)-2-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propylidene]-2-methylpropane-2-sulfinamide
CID 71763875
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol
CID 10369362
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol?
The IUPAC name of (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol (CID 11133052) is (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol.
What is the SMILES notation for (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol?
The canonical SMILES for (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol is CC(C)C[C@H](O)[C@@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol?
The InChIKey is DCZQJZJUTBBXLM-ZTCOLXNVSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-19(2)16-24(26)23-17-20(23)18-27-28(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23-24,26H,16-18H2,1-5H3/t20-,23+,24-/m0/s1.
What are the key properties of (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol?
(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol has a molecular weight of 396.65 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol is sourced from PubChem (CID 11133052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).