carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron

C19H26FeO4Si — CID 11112184

IUPACcarbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron
SMILESC=C(/C=C/C1=CC[C@H]2C[C@@H]1C2(C)C)O[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C16H26OSi.3CO.Fe/c1-12(17-18(4,5)6)7-8-13-9-10-14-11-15(13)16(14,2)3;3*1-2;/h7-9,14-15H,1,10-11H2,2-6H3;;;;/b8-7+;;;;/t14-,15-;;;;/m0..../s1
InChIKeyJTSFNRNKTMJHHS-VJRBHLTMSA-N
MW402.34 g/mol
LogP4.79
Rot. Bonds4

About carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron

carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron (PubChem CID 11112184) has the molecular formula C19H26FeO4Si and a molecular weight of 402.34 g/mol. Its IUPAC name is carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron.

Molecular Properties

Compound Namecarbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron
PubChem CID11112184
Molecular FormulaC19H26FeO4Si
Molecular Weight402.34 g/mol
Exact Mass402.09
IUPAC Namecarbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron
SMILESC=C(/C=C/C1=CC[C@H]2C[C@@H]1C2(C)C)O[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C16H26OSi.3CO.Fe/c1-12(17-18(4,5)6)7-8-13-9-10-14-11-15(13)16(14,2)3;3*1-2;/h7-9,14-15H,1,10-11H2,2-6H3;;;;/b8-7+;;;;/t14-,15-;;;;/m0..../s1
InChIKeyJTSFNRNKTMJHHS-VJRBHLTMSA-N
XLogP4.79
TPSA68.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
CID 1201529
tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate
CID 29224666
2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylidene]propanedinitrile
CID 162394706
N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide
CID 11919594
6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 58426752
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 101193017
ethyl N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]carbamate
CID 4671305
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 129420595
N-[(E)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 97021869
N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
CID 98390251
N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 46804310
1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane
CID 101266251

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron?
The IUPAC name of carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron (CID 11112184) is carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron.
What is the SMILES notation for carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron?
The canonical SMILES for carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron is C=C(/C=C/C1=CC[C@H]2C[C@@H]1C2(C)C)O[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron?
The InChIKey is JTSFNRNKTMJHHS-VJRBHLTMSA-N. The full InChI is InChI=1S/C16H26OSi.3CO.Fe/c1-12(17-18(4,5)6)7-8-13-9-10-14-11-15(13)16(14,2)3;3*1-2;/h7-9,14-15H,1,10-11H2,2-6H3;;;;/b8-7+;;;;/t14-,15-;;;;/m0..../s1.
What are the key properties of carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron?
carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron has a molecular weight of 402.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron is sourced from PubChem (CID 11112184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).