[(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol

C12H22OSi — CID 10932733

IUPAC[(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol
SMILESC[Si](C)(C)/C=C1\CCC[C@]12C[C@@H]2CO
InChIInChI=1S/C12H22OSi/c1-14(2,3)9-10-5-4-6-12(10)7-11(12)8-13/h9,11,13H,4-8H2,1-3H3/b10-9+/t11-,12+/m1/s1
InChIKeyRPOIZXYCSWOKPR-ZGFRAZBVSA-N
MW210.39 g/mol
LogP2.97
Rot. Bonds2

About [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol

[(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol (PubChem CID 10932733) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol
PubChem CID10932733
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name[(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol
SMILESC[Si](C)(C)/C=C1\CCC[C@]12C[C@@H]2CO
InChIInChI=1S/C12H22OSi/c1-14(2,3)9-10-5-4-6-12(10)7-11(12)8-13/h9,11,13H,4-8H2,1-3H3/b10-9+/t11-,12+/m1/s1
InChIKeyRPOIZXYCSWOKPR-ZGFRAZBVSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol
CID 162420337
2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]ethan-1-ol
CID 162420349
gamma-Campholenal
CID 14593276
[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol
CID 102592385
(2S)-2-[(1R,2E)-2-(trimethylsilylmethylidene)cyclopentyl]propan-1-ol
CID 132597742
[(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol
CID 134854831
2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]ethanol
CID 134861709
(2R)-2-[(1R,2E)-2-(trimethylsilylmethylidene)cyclopentyl]propan-1-ol
CID 134861762
[(1S,2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentyl]methanol
CID 134901073
[1-methyl-2-[(2R)-2,3,3,4-tetramethylpent-4-enyl]cyclopropyl]methanol
CID 145255082
2-(1,2-Dimethyl-3-methylidenecyclopentyl)ethanol
CID 166520724
[(2S,3R,7E)-7-(trimethylgermylmethylidene)spiro[2.4]heptan-2-yl]methanol
CID 10923099

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol?
The IUPAC name of [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol (CID 10932733) is [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol?
The canonical SMILES for [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol is C[Si](C)(C)/C=C1\CCC[C@]12C[C@@H]2CO.
What is the InChIKey of [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol?
The InChIKey is RPOIZXYCSWOKPR-ZGFRAZBVSA-N. The full InChI is InChI=1S/C12H22OSi/c1-14(2,3)9-10-5-4-6-12(10)7-11(12)8-13/h9,11,13H,4-8H2,1-3H3/b10-9+/t11-,12+/m1/s1.
What are the key properties of [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol?
[(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol has a molecular weight of 210.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,7E)-7-(trimethylsilylmethylidene)spiro[2.4]heptan-2-yl]methanol is sourced from PubChem (CID 10932733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).