(1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane

C11H21NOSi — CID 170651628

IUPAC(1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCC(C)(C)C1
InChIInChI=1S/C11H21NOSi/c1-10(2)7-8-11(9-10,12-3)13-14(4,5)6/h7-9H2,1-2,4-6H3
InChIKeyPESBENHAUOGAJH-UHFFFAOYSA-N
MW211.38 g/mol
LogP3.66
Rot. Bonds2

About (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane

(1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane (PubChem CID 170651628) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane
PubChem CID170651628
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name(1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCC(C)(C)C1
InChIInChI=1S/C11H21NOSi/c1-10(2)7-8-11(9-10,12-3)13-14(4,5)6/h7-9H2,1-2,4-6H3
InChIKeyPESBENHAUOGAJH-UHFFFAOYSA-N
XLogP3.66
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 53.66
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'}

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Related Compounds

(1-isocyanocyclopentyl)oxy-trimethylsilane
CID 123367856
trimethyl-[(6-methyl-1-bicyclo[4.1.0]heptanyl)oxy]silane
CID 13183995
2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155973440
(1-methoxycyclopropyl)oxy-trimethylsilane
CID 12847341
(2,2-dimethyl-1-propan-2-yloxycyclopropyl)oxy-trimethylsilane
CID 15311668
2,2-diisocyano-1,1,3,3-tetramethylcyclobutane
CID 87407568
2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile
CID 131741972
(1-methoxycyclopentyl)oxy-trimethylsilane
CID 58221009
1-trimethylsilyloxycyclohexan-1-amine
CID 165382618
1-isocyano-1-methylcyclooctane
CID 163971778
1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane
CID 172736689
[1-(2-bromoethyl)cyclopropyl]oxy-trimethylsilane
CID 19766111

Frequently Asked Questions

What is the IUPAC name of (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane?
The IUPAC name of (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane (CID 170651628) is (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane.
What is the SMILES notation for (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane?
The canonical SMILES for (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane is [C-]#[N+]C1(O[Si](C)(C)C)CCC(C)(C)C1.
What is the InChIKey of (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane?
The InChIKey is PESBENHAUOGAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOSi/c1-10(2)7-8-11(9-10,12-3)13-14(4,5)6/h7-9H2,1-2,4-6H3.
What are the key properties of (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane?
(1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane has a molecular weight of 211.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyano-3,3-dimethylcyclopentyl)oxy-trimethylsilane is sourced from PubChem (CID 170651628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).