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

C12H22OSi — CID 102460684

IUPAC(1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
SMILESC[Si](C)(C)/C=C1/CC[C@H]2CC[C@H](O)[C@@H]12
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-QEPFGGMVSA-N
MW210.39 g/mol
LogP2.97
Rot. Bonds1

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

(1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol (PubChem CID 102460684) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol.

Molecular Properties

Compound Name(1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
PubChem CID102460684
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
SMILESC[Si](C)(C)/C=C1/CC[C@H]2CC[C@H](O)[C@@H]12
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-QEPFGGMVSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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,3R)-2-(2-methylprop-2-enyl)-3-trimethylsilylcyclopentan-1-ol
CID 15248228
[(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]methanol
CID 24896924
[(1R,3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]methanol
CID 101860325
[(1S,3aS,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]methanol
CID 101860327
[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 102445292
2-[(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]ethanol
CID 134974093
Bicyclo[3.3.0]octan-2-ol, 7-methylene-
CID 556441
[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 10868799
(1S,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
CID 12169599
(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
CID 12169600
(1Z,6E)-1,6-bis(trimethylsilylmethylidene)-3,4,5,6a-tetrahydro-2H-pentalen-3a-ol
CID 15130694
[(1S,3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]methanol
CID 101860324

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
The IUPAC name of (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol (CID 102460684) is (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol.
What is the SMILES notation for (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
The canonical SMILES for (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol is C[Si](C)(C)/C=C1/CC[C@H]2CC[C@H](O)[C@@H]12.
What is the InChIKey of (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
The InChIKey is PQUXXYUJFNLGHJ-QEPFGGMVSA-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 (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol?
(1S,3aS,6Z,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 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol is sourced from PubChem (CID 102460684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).