(2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one

C17H28OSi — CID 10956785

IUPAC(2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one
SMILESC=C(CCC=C(C)C)C1CCC(=O)/C1=C\[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-13(2)8-7-9-14(3)15-10-11-17(18)16(15)12-19(4,5)6/h8,12,15H,3,7,9-11H2,1-2,4-6H3/b16-12-
InChIKeyRLJZUCOSAKBVPQ-VBKFSLOCSA-N
MW276.50 g/mol
LogP5.07
Rot. Bonds5

About (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one

(2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one (PubChem CID 10956785) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one
PubChem CID10956785
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name(2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one
SMILESC=C(CCC=C(C)C)C1CCC(=O)/C1=C\[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-13(2)8-7-9-14(3)15-10-11-17(18)16(15)12-19(4,5)6/h8,12,15H,3,7,9-11H2,1-2,4-6H3/b16-12-
InChIKeyRLJZUCOSAKBVPQ-VBKFSLOCSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one?
The IUPAC name of (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one (CID 10956785) is (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one.
What is the SMILES notation for (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one?
The canonical SMILES for (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one is C=C(CCC=C(C)C)C1CCC(=O)/C1=C\[Si](C)(C)C.
What is the InChIKey of (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one?
The InChIKey is RLJZUCOSAKBVPQ-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H28OSi/c1-13(2)8-7-9-14(3)15-10-11-17(18)16(15)12-19(4,5)6/h8,12,15H,3,7,9-11H2,1-2,4-6H3/b16-12-.
What are the key properties of (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one?
(2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one has a molecular weight of 276.50 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one is sourced from PubChem (CID 10956785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).