(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one

C18H32O2Si — CID 140749971

IUPAC(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C\C[C@H]1C=CC(=O)C1
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-14-10-8-6-7-9-11-16-12-13-17(19)15-16/h7,9,12-13,16H,6,8,10-11,14-15H2,1-5H3/b9-7-/t16-/m0/s1
InChIKeyAPMBIIWFUCDPBE-GQSKFBFOSA-N
MW308.54 g/mol
LogP5.27
Rot. Bonds8

About (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one

(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one (PubChem CID 140749971) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
PubChem CID140749971
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C\C[C@H]1C=CC(=O)C1
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-14-10-8-6-7-9-11-16-12-13-17(19)15-16/h7,9,12-13,16H,6,8,10-11,14-15H2,1-5H3/b9-7-/t16-/m0/s1
InChIKeyAPMBIIWFUCDPBE-GQSKFBFOSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one (CID 140749971) is (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OCCCC/C=C\C[C@H]1C=CC(=O)C1.
What is the InChIKey of (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one?
The InChIKey is APMBIIWFUCDPBE-GQSKFBFOSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-14-10-8-6-7-9-11-16-12-13-17(19)15-16/h7,9,12-13,16H,6,8,10-11,14-15H2,1-5H3/b9-7-/t16-/m0/s1.
What are the key properties of (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one?
(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one has a molecular weight of 308.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 140749971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).