(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol

C18H34OSi — CID 42636689

IUPAC(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol
SMILESC/C=C\C[C@@H](O)CCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8-9,15-19H,10,12-13H2,1-7H3/b9-8-/t18-/m1/s1
InChIKeyHCAMYROLJQTFTB-CNZFZVQHSA-N
MW294.55 g/mol
LogP5.32
Rot. Bonds7

About (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol

(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol (PubChem CID 42636689) has the molecular formula C18H34OSi and a molecular weight of 294.55 g/mol. Its IUPAC name is (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol.

Molecular Properties

Compound Name(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol
PubChem CID42636689
Molecular FormulaC18H34OSi
Molecular Weight294.55 g/mol
Exact Mass294.24
IUPAC Name(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol
SMILESC/C=C\C[C@@H](O)CCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8-9,15-19H,10,12-13H2,1-7H3/b9-8-/t18-/m1/s1
InChIKeyHCAMYROLJQTFTB-CNZFZVQHSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.55
LogP ≤ 55.32
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

(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
CID 10921159
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
(1R,6R)-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984250
(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
CID 44550535
Trimethylsilyl-2-octene-7-ol
CID 72727162
(Z,4S,5R)-4-trimethylsilylnon-2-en-5-ol
CID 101513168
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
(15z,19z)-1-(Trimethylsilyl)hexatriaconta-15,19-dien-1-yn-3-ol
CID 129747160
(Trimethylsilyl)-1,7,11,15,19,23-pentacosahexaen-4-ol
CID 129794799
(6Z,10Z)-7,11,15-trimethyl-1-trimethylsilylhexadeca-6,10,14-trien-1-yn-3-ol
CID 134880944
(Z)-1,5-bis(trimethylsilyl)dec-5-en-1-yn-3-ol
CID 134931746
(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol
CID 135019971

Frequently Asked Questions

What is the IUPAC name of (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol?
The IUPAC name of (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol (CID 42636689) is (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol.
What is the SMILES notation for (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol?
The canonical SMILES for (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol is C/C=C\C[C@@H](O)CCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol?
The InChIKey is HCAMYROLJQTFTB-CNZFZVQHSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8-9,15-19H,10,12-13H2,1-7H3/b9-8-/t18-/m1/s1.
What are the key properties of (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol?
(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol has a molecular weight of 294.55 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol is sourced from PubChem (CID 42636689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).