(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol

C18H34OSi — CID 11346939

IUPAC(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCC(C)[Si](C#C[C@@H](O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-19H,7-11H2,1-6H3/t18-/m1/s1
InChIKeyNOCRQKMYYYQXHX-GOSISDBHSA-N
MW294.56 g/mol
LogP5.15
Rot. Bonds4

About (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol

(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol (PubChem CID 11346939) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol
PubChem CID11346939
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCC(C)[Si](C#C[C@@H](O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-19H,7-11H2,1-6H3/t18-/m1/s1
InChIKeyNOCRQKMYYYQXHX-GOSISDBHSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexylundeca-2,4-diyne-1,6-diol
CID 122187220
1-Cyclohexyl-8-methylnona-2,4-diyne-1,6-diol
CID 122187225
1-Cyclohexylpentadeca-2,4-diyne-1,6-diol
CID 122187222
(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
CID 164610642
(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 164617863
alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
1-Tri(propan-2-yl)silyldodec-1-yn-4-ol
CID 12120914
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558
1-Cyclohexylhept-2-yn-1-ol
CID 14765192

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The IUPAC name of (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol (CID 11346939) is (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The canonical SMILES for (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol is CC(C)[Si](C#C[C@@H](O)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The InChIKey is NOCRQKMYYYQXHX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-19H,7-11H2,1-6H3/t18-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol has a molecular weight of 294.56 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol is sourced from PubChem (CID 11346939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).