(1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol

C20H34O2Si — CID 14571578

IUPAC(1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(C#C[C@H]1C=C[C@@H](O)C1)C1CCCCC1
InChIInChI=1S/C20H34O2Si/c1-20(2,3)23(4,5)22-19(17-9-7-6-8-10-17)14-12-16-11-13-18(21)15-16/h11,13,16-19,21H,6-10,15H2,1-5H3/t16-,18-,19?/m1/s1
InChIKeyQLZNTWMMTFMTCK-SYUDBMKNSA-N
MW334.58 g/mol
LogP4.90
Rot. Bonds3

About (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol

(1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol (PubChem CID 14571578) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol
PubChem CID14571578
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(C#C[C@H]1C=C[C@@H](O)C1)C1CCCCC1
InChIInChI=1S/C20H34O2Si/c1-20(2,3)23(4,5)22-19(17-9-7-6-8-10-17)14-12-16-11-13-18(21)15-16/h11,13,16-19,21H,6-10,15H2,1-5H3/t16-,18-,19?/m1/s1
InChIKeyQLZNTWMMTFMTCK-SYUDBMKNSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.58
LogP ≤ 54.90
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

(1'S,2'S,3'R,6'S,8'R)-2'-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octane]-3'-ol
CID 10253127
tert-butyl-(1-cyclopentylprop-2-ynoxy)-dimethylsilane
CID 14314323
(1'R,2'S,3'R,6'S)-2'-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-6'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octane]-3'-ol
CID 67929571
(1'S,2'R,3'S,6'S)-2'-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octane]-3'-ol
CID 67929726
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
(1S,2S,3R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-8-methyl-6-(2,2,2-trifluoroethoxy)bicyclo[4.2.0]octan-7-one
CID 22837604
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
1-[4-[(4R,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopenten-1-yl]butylsulfanyl]propan-2-one
CID 11983899
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane
CID 101186688
tert-butyl-[(E,1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-3-enoxy]-dimethylsilane
CID 10693040
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
(3'R,6'S)-2'-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-1-ynyl]spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octane]-3'-ol
CID 70401003

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol (CID 14571578) is (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OC(C#C[C@H]1C=C[C@@H](O)C1)C1CCCCC1.
What is the InChIKey of (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol?
The InChIKey is QLZNTWMMTFMTCK-SYUDBMKNSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-20(2,3)23(4,5)22-19(17-9-7-6-8-10-17)14-12-16-11-13-18(21)15-16/h11,13,16-19,21H,6-10,15H2,1-5H3/t16-,18-,19?/m1/s1.
What are the key properties of (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol?
(1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol has a molecular weight of 334.58 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 14571578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).