(3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol

C13H24OSi — CID 166442815

IUPAC(3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol
SMILESCCC[C@@H](O)[C@@H](C#CC1CC1)[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-5-6-12(14)13(15(2,3)4)10-9-11-7-8-11/h11-14H,5-8H2,1-4H3/t12-,13-/m1/s1
InChIKeyRRSRYPBEGBTWJZ-CHWSQXEVSA-N
MW224.42 g/mol
LogP3.27
Rot. Bonds4

About (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol

(3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol (PubChem CID 166442815) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol
PubChem CID166442815
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol
SMILESCCC[C@@H](O)[C@@H](C#CC1CC1)[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-5-6-12(14)13(15(2,3)4)10-9-11-7-8-11/h11-14H,5-8H2,1-4H3/t12-,13-/m1/s1
InChIKeyRRSRYPBEGBTWJZ-CHWSQXEVSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.27
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-Cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol
CID 22180837
(S)-1-(trimethylsilyl)hept-1-yn-3-ol
CID 12623485
[(1R,2S)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]methanol
CID 101787984
8-Trimethylsilyldodec-6-yn-5-ol
CID 10354989
2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273
1-(Trimethylsilyl)hex-1-yn-3-ol
CID 12748619
(4R,5R)-5-trimethylsilyloct-6-yn-4-ol
CID 166438591
(3S,4S)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol
CID 166438947
(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol
CID 166439538
(4S,5S)-5-trimethylsilyloct-6-yn-4-ol
CID 166440518
(4R,5R)-2-methyl-5-trimethylsilyloct-6-yn-4-ol
CID 166443605
7-(Trimethylsilyl)hept-6-yn-2-ol
CID 10583653

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol?
The IUPAC name of (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol (CID 166442815) is (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol.
What is the SMILES notation for (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol?
The canonical SMILES for (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol is CCC[C@@H](O)[C@@H](C#CC1CC1)[Si](C)(C)C.
What is the InChIKey of (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol?
The InChIKey is RRSRYPBEGBTWJZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H24OSi/c1-5-6-12(14)13(15(2,3)4)10-9-11-7-8-11/h11-14H,5-8H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol?
(3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol has a molecular weight of 224.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol is sourced from PubChem (CID 166442815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).