(1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol

C18H34O2Si2 — CID 10925810

IUPAC(1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC=C1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C18H34O2Si2/c1-14-12-15(20-22(8,9)18(2,3)4)13-16(14)17(19)10-11-21(5,6)7/h15-17,19H,1,12-13H2,2-9H3/t15-,16+,17+/m0/s1
InChIKeyWCNMXVAEKLXRHW-GVDBMIGSSA-N
MW338.64 g/mol
LogP4.58
Rot. Bonds3

About (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol

(1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 10925810) has the molecular formula C18H34O2Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID10925810
Molecular FormulaC18H34O2Si2
Molecular Weight338.64 g/mol
Exact Mass338.21
IUPAC Name(1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC=C1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C18H34O2Si2/c1-14-12-15(20-22(8,9)18(2,3)4)13-16(14)17(19)10-11-21(5,6)7/h15-17,19H,1,12-13H2,2-9H3/t15-,16+,17+/m0/s1
InChIKeyWCNMXVAEKLXRHW-GVDBMIGSSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 54.58
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate
CID 66604974
2-[(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]ethanol
CID 134974093
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
(2E)-2-[(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 101099401
(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 18654178
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetic acid
CID 68542742
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 14483735
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
tert-butyl-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10499170
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol (CID 10925810) is (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol is C=C1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is WCNMXVAEKLXRHW-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H34O2Si2/c1-14-12-15(20-22(8,9)18(2,3)4)13-16(14)17(19)10-11-21(5,6)7/h15-17,19H,1,12-13H2,2-9H3/t15-,16+,17+/m0/s1.
What are the key properties of (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol?
(1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 338.64 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 10925810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).