(4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol

C18H34OSi — CID 145294780

IUPAC(4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol
SMILESC=CC[C@@H](O)C[C@@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-9-10-18(19)13-17(8)11-12-20(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10,13H2,2-8H3/t17-,18+/m0/s1
InChIKeyVQECHDYCJMBWSQ-ZWKOTPCHSA-N
MW294.56 g/mol
LogP5.17
Rot. Bonds7

About (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol

(4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol (PubChem CID 145294780) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol.

Molecular Properties

Compound Name(4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol
PubChem CID145294780
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol
SMILESC=CC[C@@H](O)C[C@@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-9-10-18(19)13-17(8)11-12-20(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10,13H2,2-8H3/t17-,18+/m0/s1
InChIKeyVQECHDYCJMBWSQ-ZWKOTPCHSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.17
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

(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol
CID 101463801
(4S)-4-benzyl-3-[(2S,3R,5S)-3-hydroxy-5-methyl-2-prop-2-enyl-7-tri(propan-2-yl)silylhept-6-ynoyl]-1,3-oxazolidin-2-one
CID 11548010
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
nonacos-1-ene-4,6,8,10,12,14,16,18,20,22,24-undecol
CID 121434328
(3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal
CID 102296905
(3S,4S)-1-trimethylsilylhept-6-en-1-yne-3,4-diol
CID 102124553
(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 138981118
6,10-dimethylundeca-1,9-dien-4-ol
CID 11019804
(6S)-6,10-dimethylundeca-1,9-dien-4-ol
CID 11030747
azane;pent-4-en-2-ol
CID 22149561

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol?
The IUPAC name of (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol (CID 145294780) is (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol.
What is the SMILES notation for (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol?
The canonical SMILES for (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol is C=CC[C@@H](O)C[C@@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol?
The InChIKey is VQECHDYCJMBWSQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H34OSi/c1-9-10-18(19)13-17(8)11-12-20(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10,13H2,2-8H3/t17-,18+/m0/s1.
What are the key properties of (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol?
(4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol has a molecular weight of 294.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol is sourced from PubChem (CID 145294780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).