(Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal

C20H36OSi — CID 44517963

IUPAC(Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal
SMILESCC/C=C\CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CC=O
InChIInChI=1S/C20H36OSi/c1-8-9-10-11-12-20(13-15-21)14-16-22(17(2)3,18(4)5)19(6)7/h9-10,15,17-20H,8,11-13H2,1-7H3/b10-9-/t20-/m0/s1
InChIKeyLASBBPQSWIAWFV-QJRAZLAKSA-N
MW320.59 g/mol
LogP6.16
Rot. Bonds9

About (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal

(Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal (PubChem CID 44517963) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal.

Molecular Properties

Compound Name(Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal
PubChem CID44517963
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name(Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal
SMILESCC/C=C\CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CC=O
InChIInChI=1S/C20H36OSi/c1-8-9-10-11-12-20(13-15-21)14-16-22(17(2)3,18(4)5)19(6)7/h9-10,15,17-20H,8,11-13H2,1-7H3/b10-9-/t20-/m0/s1
InChIKeyLASBBPQSWIAWFV-QJRAZLAKSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

(3S)-12-hydroxy-3-[2-tri(propan-2-yl)silylethynyl]dodecanal
CID 44517964
(3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal
CID 102296905
[(Z)-3-bromodec-7-en-1-ynyl]-tri(propan-2-yl)silane
CID 166637294
2-ethylundeca-5,8-dienal
CID 140806984
7,7-difluorohept-3-ene
CID 54444112
(E)-7,8-dimethyldec-3-ene
CID 164805816
10-methylundeca-3,7-diene
CID 91333064
(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
CID 177270175
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(3R,5R,9Z,12Z,15Z,18Z,21Z)-3,5-dihydroxytetracosa-9,12,15,18,21-pentaenal
CID 118505514
3-methylundec-7-enal
CID 54135562

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal?
The IUPAC name of (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal (CID 44517963) is (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal.
What is the SMILES notation for (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal?
The canonical SMILES for (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal is CC/C=C\CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CC=O.
What is the InChIKey of (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal?
The InChIKey is LASBBPQSWIAWFV-QJRAZLAKSA-N. The full InChI is InChI=1S/C20H36OSi/c1-8-9-10-11-12-20(13-15-21)14-16-22(17(2)3,18(4)5)19(6)7/h9-10,15,17-20H,8,11-13H2,1-7H3/b10-9-/t20-/m0/s1.
What are the key properties of (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal?
(Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal has a molecular weight of 320.59 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal is sourced from PubChem (CID 44517963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).