[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol

C17H34OSi — CID 552266

IUPAC[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol
SMILESCC(C)=CCCC1(C)CC1C(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-13(2)10-9-11-17(6)12-14(17)15(18)19(7,8)16(3,4)5/h10,14-15,18H,9,11-12H2,1-8H3
InChIKeyKSJSVBKTQSMLCJ-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.17
Rot. Bonds5

About [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol

[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol (PubChem CID 552266) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol
PubChem CID552266
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol
SMILESCC(C)=CCCC1(C)CC1C(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-13(2)10-9-11-17(6)12-14(17)15(18)19(7,8)16(3,4)5/h10,14-15,18H,9,11-12H2,1-8H3
InChIKeyKSJSVBKTQSMLCJ-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
(2R,3S)-3-[(Z)-but-1-enyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 53350122
ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
CID 58895292
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide
CID 76600034
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
CID 85361278
(2S)-3-(bromomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 121298365
(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 11425969
(E,3S)-9-[(2S,3S)-3-[2-[(2S,3S)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2,6-dimethylnon-6-ene-2,3-diol
CID 101054072
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol?
The IUPAC name of [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol (CID 552266) is [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol.
What is the SMILES notation for [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol?
The canonical SMILES for [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol is CC(C)=CCCC1(C)CC1C(O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol?
The InChIKey is KSJSVBKTQSMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-13(2)10-9-11-17(6)12-14(17)15(18)19(7,8)16(3,4)5/h10,14-15,18H,9,11-12H2,1-8H3.
What are the key properties of [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol?
[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol has a molecular weight of 282.54 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol is sourced from PubChem (CID 552266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).