ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane

C23H31NOSi — CID 91247385

IUPACethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
SMILESCC.CC.[C-]#[N+]C1(O[Si](C)(C)C)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C19H19NOSi.2C2H6/c1-20-19(21-22(2,3)4)17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)19;2*1-2/h5-14H,2-4H3;2*1-2H3
InChIKeyANJHMNIJLWSISD-UHFFFAOYSA-N
MW365.59 g/mol
LogP7.19
Rot. Bonds2

About ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane

ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane (PubChem CID 91247385) has the molecular formula C23H31NOSi and a molecular weight of 365.59 g/mol. Its IUPAC name is ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane.

Molecular Properties

Compound Nameethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
PubChem CID91247385
Molecular FormulaC23H31NOSi
Molecular Weight365.59 g/mol
Exact Mass365.22
IUPAC Nameethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
SMILESCC.CC.[C-]#[N+]C1(O[Si](C)(C)C)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C19H19NOSi.2C2H6/c1-20-19(21-22(2,3)4)17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)19;2*1-2/h5-14H,2-4H3;2*1-2H3
InChIKeyANJHMNIJLWSISD-UHFFFAOYSA-N
XLogP7.19
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.59
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-trimethylsilyloxynaphthalen-2-one
CID 10800462
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446
trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride
CID 19777591
trimethyl-(1-trimethylstannylinden-1-yl)silane
CID 15492438
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol
CID 45091466
5-(3-isocyanophenyl)-14-(3-methylphenyl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2,9'-xanthene]
CID 160966397
1-methoxyinden-1-ol
CID 22755553
trimethyl-(9-prop-2-enylfluoren-9-yl)oxysilane
CID 71366117
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080
(11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole
CID 134967547

Frequently Asked Questions

What is the IUPAC name of ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane?
The IUPAC name of ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane (CID 91247385) is ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane.
What is the SMILES notation for ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane?
The canonical SMILES for ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane is CC.CC.[C-]#[N+]C1(O[Si](C)(C)C)c2ccccc2C=Cc2ccccc21.
What is the InChIKey of ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane?
The InChIKey is ANJHMNIJLWSISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOSi.2C2H6/c1-20-19(21-22(2,3)4)17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)19;2*1-2/h5-14H,2-4H3;2*1-2H3.
What are the key properties of ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane?
ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane has a molecular weight of 365.59 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane is sourced from PubChem (CID 91247385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).