(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol

C14H28O2Si — CID 10682540

IUPAC(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol
SMILESC=CC[C@H](O)[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-13(15)12-9-11(12)10-16-17(5,6)14(2,3)4/h7,11-13,15H,1,8-10H2,2-6H3/t11-,12+,13-/m0/s1
InChIKeyZOZDPYYSZSMOGE-XQQFMLRXSA-N
MW256.46 g/mol
LogP3.58
Rot. Bonds6

About (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol

(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol (PubChem CID 10682540) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol
PubChem CID10682540
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol
SMILESC=CC[C@H](O)[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-13(15)12-9-11(12)10-16-17(5,6)14(2,3)4/h7,11-13,15H,1,8-10H2,2-6H3/t11-,12+,13-/m0/s1
InChIKeyZOZDPYYSZSMOGE-XQQFMLRXSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
tert-butyl-[[(1R,2R)-2-[(1S)-1-methoxyprop-2-enyl]cyclobutyl]methoxy]-dimethylsilane;methanol;[(1R,2R)-2-[(1S)-1-methoxyprop-2-enyl]cyclobutyl]methanol
CID 164991036
(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol
CID 135040202
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
CID 122220290
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
cyclopentyl-[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 101099555
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 15117336
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol?
The IUPAC name of (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol (CID 10682540) is (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol.
What is the SMILES notation for (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol?
The canonical SMILES for (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol is C=CC[C@H](O)[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol?
The InChIKey is ZOZDPYYSZSMOGE-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-8-13(15)12-9-11(12)10-16-17(5,6)14(2,3)4/h7,11-13,15H,1,8-10H2,2-6H3/t11-,12+,13-/m0/s1.
What are the key properties of (1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol?
(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.58, 6 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(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol is sourced from PubChem (CID 10682540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).