(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol

C12H22OSi — CID 12169600

IUPAC(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
SMILESC[Si](C)(C)/C=C/1\CC[C@@H]2[C@H]1[C@@H](CC2)O
InChIInChI=1S/C12H22OSi/c1-14(2,3)8-10-5-4-9-6-7-11(13)12(9)10/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t9-,11+,12+/m0/s1
InChIKeyPQUXXYUJFNLGHJ-RRUJWPSXSA-N
MW210.39 g/mol
LogP—
Rot. Bonds1

About (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol

(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol (PubChem CID 12169600) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol.

Molecular Properties

Compound Name(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
PubChem CID12169600
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
SMILESC[Si](C)(C)/C=C/1\CC[C@@H]2[C@H]1[C@@H](CC2)O
InChIInChI=1S/C12H22OSi/c1-14(2,3)8-10-5-4-9-6-7-11(13)12(9)10/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t9-,11+,12+/m0/s1
InChIKeyPQUXXYUJFNLGHJ-RRUJWPSXSA-N
XLogP—
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity252

Lipinski Rule of Five

Passes Rule of Five

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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
The IUPAC name of (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol (CID 12169600) is (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol.
What is the SMILES notation for (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
The canonical SMILES for (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol is C[Si](C)(C)/C=C/1\CC[C@@H]2[C@H]1[C@@H](CC2)O.
What is the InChIKey of (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
The InChIKey is PQUXXYUJFNLGHJ-RRUJWPSXSA-N. The full InChI is InChI=1S/C12H22OSi/c1-14(2,3)8-10-5-4-9-6-7-11(13)12(9)10/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t9-,11+,12+/m0/s1.
What are the key properties of (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol has a molecular weight of 210.39 g/mol, XLogP of not available, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol is sourced from PubChem (CID 12169600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).