(3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol

C19H34OSi — CID 10935686

IUPAC(3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol
SMILESCCC#CC[C@H](C)[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-9-10-11-12-18(8)19(20)13-14-21(15(2)3,16(4)5)17(6)7/h15-20H,9,12H2,1-8H3/t18-,19+/m0/s1
InChIKeyGCOWNWIDQPGCEQ-RBUKOAKNSA-N
MW306.57 g/mol
LogP5.01
Rot. Bonds5

About (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol

(3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol (PubChem CID 10935686) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol
PubChem CID10935686
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name(3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol
SMILESCCC#CC[C@H](C)[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-9-10-11-12-18(8)19(20)13-14-21(15(2)3,16(4)5)17(6)7/h15-20H,9,12H2,1-8H3/t18-,19+/m0/s1
InChIKeyGCOWNWIDQPGCEQ-RBUKOAKNSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.01
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

3-Methyl-5-(trimethylsilyl)pent-4-yn-2-ol
CID 14084681
1-Cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol
CID 22180837
1-Pentyn-3-ol, 4-methyl-1-(trimethylsilyl)-
CID 2759520
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
2-Methyl-7-trimethylsilylhept-5-yn-3-ol
CID 12169943
(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162766
(3R,4R)-2-methyl-4-trimethylsilylhept-5-yn-3-ol
CID 130710393
7-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
CID 134884608
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol
CID 135017386
(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol
CID 135039763
3-[Tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol
CID 135049710
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
CID 138980520

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol?
The IUPAC name of (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol (CID 10935686) is (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol.
What is the SMILES notation for (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol?
The canonical SMILES for (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol is CCC#CC[C@H](C)[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol?
The InChIKey is GCOWNWIDQPGCEQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H34OSi/c1-9-10-11-12-18(8)19(20)13-14-21(15(2)3,16(4)5)17(6)7/h15-20H,9,12H2,1-8H3/t18-,19+/m0/s1.
What are the key properties of (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol?
(3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol has a molecular weight of 306.57 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol is sourced from PubChem (CID 10935686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).