tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol

C28H61ClO2Si2 — CID 159548386

IUPACtert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol
SMILESCC(C)(C)[Si](C)(C)Cl.CC1(C)CCC(CO)C1.CC1(C)CCC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H30OSi.C8H16O.C6H15ClSi/c1-13(2,3)16(6,7)15-11-12-8-9-14(4,5)10-12;1-8(2)4-3-7(5-8)6-9;1-6(2,3)8(4,5)7/h12H,8-11H2,1-7H3;7,9H,3-6H2,1-2H3;1-5H3
InChIKeyMFBUREGEFCXXKJ-UHFFFAOYSA-N
MW521.42 g/mol
LogP9.87
Rot. Bonds4

About tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol

tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol (PubChem CID 159548386) has the molecular formula C28H61ClO2Si2 and a molecular weight of 521.42 g/mol. Its IUPAC name is tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Nametert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol
PubChem CID159548386
Molecular FormulaC28H61ClO2Si2
Molecular Weight521.42 g/mol
Exact Mass520.39
IUPAC Nametert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol
SMILESCC(C)(C)[Si](C)(C)Cl.CC1(C)CCC(CO)C1.CC1(C)CCC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H30OSi.C8H16O.C6H15ClSi/c1-13(2,3)16(6,7)15-11-12-8-9-14(4,5)10-12;1-8(2)4-3-7(5-8)6-9;1-6(2,3)8(4,5)7/h12H,8-11H2,1-7H3;7,9H,3-6H2,1-2H3;1-5H3
InChIKeyMFBUREGEFCXXKJ-UHFFFAOYSA-N
XLogP9.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.42
LogP ≤ 59.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-3,3-dimethylcyclopentyl]methanol
CID 159914707
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
(3,3-dimethylcyclohexyl)methanol
CID 14034040
tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
CID 158962820
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372
tert-butyl-[(4-ethenyl-4-methoxycyclohexyl)methoxy]-dimethylsilane
CID 123320294
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]-2,2-dimethylpropyl]carbamic acid
CID 87104517
2-(3,3-dimethylcyclopentyl)ethanol
CID 84648793
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol?
The IUPAC name of tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol (CID 159548386) is tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol.
What is the SMILES notation for tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol?
The canonical SMILES for tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol is CC(C)(C)[Si](C)(C)Cl.CC1(C)CCC(CO)C1.CC1(C)CCC(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol?
The InChIKey is MFBUREGEFCXXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi.C8H16O.C6H15ClSi/c1-13(2,3)16(6,7)15-11-12-8-9-14(4,5)10-12;1-8(2)4-3-7(5-8)6-9;1-6(2,3)8(4,5)7/h12H,8-11H2,1-7H3;7,9H,3-6H2,1-2H3;1-5H3.
What are the key properties of tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol?
tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol has a molecular weight of 521.42 g/mol, XLogP of 9.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol is sourced from PubChem (CID 159548386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).