(4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one

C19H31ClO2Si — CID 134874259

IUPAC(4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one
SMILESCC(C)[Si](O[C@@H]1CCC=C1/C=C\CC(Cl)=C=O)(C(C)C)C(C)C
InChIInChI=1S/C19H31ClO2Si/c1-14(2)23(15(3)4,16(5)6)22-19-12-8-10-17(19)9-7-11-18(20)13-21/h7,9-10,14-16,19H,8,11-12H2,1-6H3/b9-7-/t19-/m1/s1
InChIKeyFYFLKJXZNVYGOE-GXVATQTDSA-N
MW354.99 g/mol
LogP6.17
Rot. Bonds8

About (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one

(4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one (PubChem CID 134874259) has the molecular formula C19H31ClO2Si and a molecular weight of 354.99 g/mol. Its IUPAC name is (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one.

Molecular Properties

Compound Name(4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one
PubChem CID134874259
Molecular FormulaC19H31ClO2Si
Molecular Weight354.99 g/mol
Exact Mass354.18
IUPAC Name(4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one
SMILESCC(C)[Si](O[C@@H]1CCC=C1/C=C\CC(Cl)=C=O)(C(C)C)C(C)C
InChIInChI=1S/C19H31ClO2Si/c1-14(2)23(15(3)4,16(5)6)22-19-12-8-10-17(19)9-7-11-18(20)13-21/h7,9-10,14-16,19H,8,11-12H2,1-6H3/b9-7-/t19-/m1/s1
InChIKeyFYFLKJXZNVYGOE-GXVATQTDSA-N
XLogP6.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.99
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one?
The IUPAC name of (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one (CID 134874259) is (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one.
What is the SMILES notation for (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one?
The canonical SMILES for (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one is CC(C)[Si](O[C@@H]1CCC=C1/C=C\CC(Cl)=C=O)(C(C)C)C(C)C.
What is the InChIKey of (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one?
The InChIKey is FYFLKJXZNVYGOE-GXVATQTDSA-N. The full InChI is InChI=1S/C19H31ClO2Si/c1-14(2)23(15(3)4,16(5)6)22-19-12-8-10-17(19)9-7-11-18(20)13-21/h7,9-10,14-16,19H,8,11-12H2,1-6H3/b9-7-/t19-/m1/s1.
What are the key properties of (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one?
(4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one has a molecular weight of 354.99 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one is sourced from PubChem (CID 134874259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).