4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one

C18H26O2Si — CID 139951772

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one
SMILESC=C1C=CC=CC1C1C(=O)C=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H26O2Si/c1-13-9-7-8-10-14(13)17-15(19)11-12-16(17)20-21(5,6)18(2,3)4/h7-12,14,16-17H,1H2,2-6H3
InChIKeyMLMRTDXKPAXTOH-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.43
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one (PubChem CID 139951772) has the molecular formula C18H26O2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one
PubChem CID139951772
Molecular FormulaC18H26O2Si
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one
SMILESC=C1C=CC=CC1C1C(=O)C=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H26O2Si/c1-13-9-7-8-10-14(13)17-15(19)11-12-16(17)20-21(5,6)18(2,3)4/h7-12,14,16-17H,1H2,2-6H3
InChIKeyMLMRTDXKPAXTOH-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
CID 11149438
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11184283
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(1Z,3E,5R,6S,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,6,8-trimethylhexadeca-1,3,8,10,15-pentaen-7-one
CID 16757211
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4S,5S)-5-methyl-4-((trimethylsilyl)oxy)cyclohex-2-en-1-one
CID 86277847
(3R,4S,5E,7E)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylnona-5,7-dien-2-one
CID 134852710
(1E,3S,4S,6E,8E,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6,10-trimethyl-1-tributylstannylundeca-1,6,8-trien-5-one
CID 135035937
(4R,4aS,9aR)-4-trimethylsilyloxy-1,4,4a,9a-tetrahydrobenzo[7]annulen-5-one
CID 135037472
(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 164665587

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one (CID 139951772) is 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one is C=C1C=CC=CC1C1C(=O)C=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one?
The InChIKey is MLMRTDXKPAXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2Si/c1-13-9-7-8-10-14(13)17-15(19)11-12-16(17)20-21(5,6)18(2,3)4/h7-12,14,16-17H,1H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one has a molecular weight of 302.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 139951772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).