(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol

C14H26OSi — CID 134972259

IUPAC(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
SMILESC/C=C/C(CCCC)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-6-8-10-13(9-7-2)14(15)11-12-16(3,4)5/h7,9,13-15H,6,8,10H2,1-5H3/b9-7+/t13?,14-/m0/s1
InChIKeyDQHRMLIGPYPGLX-UPZNYAMQSA-N
MW238.45 g/mol
LogP3.61
Rot. Bonds5

About (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol

(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol (PubChem CID 134972259) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
PubChem CID134972259
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
SMILESC/C=C/C(CCCC)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-6-8-10-13(9-7-2)14(15)11-12-16(3,4)5/h7,9,13-15H,6,8,10H2,1-5H3/b9-7+/t13?,14-/m0/s1
InChIKeyDQHRMLIGPYPGLX-UPZNYAMQSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.61
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11021324
(1R,6E,10E,14R)-7,11-dimethyl-14-prop-1-en-2-ylcyclotetradeca-6,10-dien-2-yn-1-ol
CID 13820139
(1S,6E,10E,14R)-7,11-dimethyl-14-prop-1-en-2-ylcyclotetradeca-6,10-dien-2-yn-1-ol
CID 13820141
(1R,6E,10R)-7-methyl-10-prop-1-en-2-ylcyclodec-6-en-2-yn-1-ol
CID 13821302
(4-Trimethylsilylcyclohex-2-en-1-yl)methanol
CID 14961483
[(1R,4R)-2-methyl-4-trimethylsilylcyclohex-2-en-1-yl]methanol
CID 14961487
(1S,5R,6S)-5-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984254
(1R,4R)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 17755069
1-Cyclohex-2-en-1-ylhept-2-yn-1-ol
CID 24787556
2-(6-Trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 73116563
cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
CID 101490649
(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 130944406

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol?
The IUPAC name of (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol (CID 134972259) is (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol.
What is the SMILES notation for (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol?
The canonical SMILES for (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol is C/C=C/C(CCCC)[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol?
The InChIKey is DQHRMLIGPYPGLX-UPZNYAMQSA-N. The full InChI is InChI=1S/C14H26OSi/c1-6-8-10-13(9-7-2)14(15)11-12-16(3,4)5/h7,9,13-15H,6,8,10H2,1-5H3/b9-7+/t13?,14-/m0/s1.
What are the key properties of (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol?
(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol has a molecular weight of 238.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol is sourced from PubChem (CID 134972259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).