2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one

C15H22O3Si — CID 135015874

IUPAC2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one
SMILESC[Si](C)(C)C#C/C=C\C(O)CC(=O)C1CCCC1=O
InChIInChI=1S/C15H22O3Si/c1-19(2,3)10-5-4-7-12(16)11-15(18)13-8-6-9-14(13)17/h4,7,12-13,16H,6,8-9,11H2,1-3H3/b7-4-
InChIKeyBDIPAHQGLYEGMC-DAXSKMNVSA-N
MW278.42 g/mol
LogP2.11
Rot. Bonds4

About 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one

2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one (PubChem CID 135015874) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one
PubChem CID135015874
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one
SMILESC[Si](C)(C)C#C/C=C\C(O)CC(=O)C1CCCC1=O
InChIInChI=1S/C15H22O3Si/c1-19(2,3)10-5-4-7-12(16)11-15(18)13-8-6-9-14(13)17/h4,7,12-13,16H,6,8-9,11H2,1-3H3/b7-4-
InChIKeyBDIPAHQGLYEGMC-DAXSKMNVSA-N
XLogP2.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one?
The IUPAC name of 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one (CID 135015874) is 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one?
The canonical SMILES for 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one is C[Si](C)(C)C#C/C=C\C(O)CC(=O)C1CCCC1=O.
What is the InChIKey of 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one?
The InChIKey is BDIPAHQGLYEGMC-DAXSKMNVSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-19(2,3)10-5-4-7-12(16)11-15(18)13-8-6-9-14(13)17/h4,7,12-13,16H,6,8-9,11H2,1-3H3/b7-4-.
What are the key properties of 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one?
2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one has a molecular weight of 278.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one is sourced from PubChem (CID 135015874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).