[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol

C24H50O2SiSn — CID 164686162

IUPAC[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol
SMILESCCCC[Sn](CCCC)(CCCC)CC1CC(CO)(CO)C/C1=C/[Si](C)(C)C
InChIInChI=1S/C12H23O2Si.3C4H9.Sn/c1-10-5-12(8-13,9-14)6-11(10)7-15(2,3)4;3*1-3-4-2;/h7,10,13-14H,1,5-6,8-9H2,2-4H3;3*1,3-4H2,2H3;/b11-7-;;;;
InChIKeyLKFBRTPWZCJUKH-YIUUKBIWSA-N
MW517.46 g/mol
LogP7.02
Rot. Bonds14

About [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol

[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol (PubChem CID 164686162) has the molecular formula C24H50O2SiSn and a molecular weight of 517.46 g/mol. Its IUPAC name is [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol.

Molecular Properties

Compound Name[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol
PubChem CID164686162
Molecular FormulaC24H50O2SiSn
Molecular Weight517.46 g/mol
Exact Mass518.26
IUPAC Name[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol
SMILESCCCC[Sn](CCCC)(CCCC)CC1CC(CO)(CO)C/C1=C/[Si](C)(C)C
InChIInChI=1S/C12H23O2Si.3C4H9.Sn/c1-10-5-12(8-13,9-14)6-11(10)7-15(2,3)4;3*1-3-4-2;/h7,10,13-14H,1,5-6,8-9H2,2-4H3;3*1,3-4H2,2H3;/b11-7-;;;;
InChIKeyLKFBRTPWZCJUKH-YIUUKBIWSA-N
XLogP7.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.46
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 72665366
[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
CID 134964905
trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane
CID 164686642
[(3R)-1-(hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 176427685
2-({[tert-Butyldi(methyl)silyl]oxy}methyl)-3,3,4,5-tetramethylhex-5-en-1-ol
CID 174050489
Tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-methylidenecyclopentyl]methoxy]-dimethylsilane
CID 15416501
[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol
CID 15525049
(1R,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 60153121

Frequently Asked Questions

What is the IUPAC name of [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol?
The IUPAC name of [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol (CID 164686162) is [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol.
What is the SMILES notation for [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol?
The canonical SMILES for [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol is CCCC[Sn](CCCC)(CCCC)CC1CC(CO)(CO)C/C1=C/[Si](C)(C)C.
What is the InChIKey of [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol?
The InChIKey is LKFBRTPWZCJUKH-YIUUKBIWSA-N. The full InChI is InChI=1S/C12H23O2Si.3C4H9.Sn/c1-10-5-12(8-13,9-14)6-11(10)7-15(2,3)4;3*1-3-4-2;/h7,10,13-14H,1,5-6,8-9H2,2-4H3;3*1,3-4H2,2H3;/b11-7-;;;;.
What are the key properties of [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol?
[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol has a molecular weight of 517.46 g/mol, XLogP of 7.02, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol is sourced from PubChem (CID 164686162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).