(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol

C18H26OSi — CID 102403651

IUPAC(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol
SMILESCC1(C)[C@H](O)/C(=C\c2ccccc2)[C@]2([Si](C)(C)C)C[C@H]12
InChIInChI=1S/C18H26OSi/c1-17(2)15-12-18(15,20(3,4)5)14(16(17)19)11-13-9-7-6-8-10-13/h6-11,15-16,19H,12H2,1-5H3/b14-11+/t15-,16-,18-/m1/s1
InChIKeyGAYOACHZJZRQDU-KUYLTSQGSA-N
MW286.49 g/mol
LogP4.57
Rot. Bonds2

About (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol

(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol (PubChem CID 102403651) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol
PubChem CID102403651
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol
SMILESCC1(C)[C@H](O)/C(=C\c2ccccc2)[C@]2([Si](C)(C)C)C[C@H]12
InChIInChI=1S/C18H26OSi/c1-17(2)15-12-18(15,20(3,4)5)14(16(17)19)11-13-9-7-6-8-10-13/h6-11,15-16,19H,12H2,1-5H3/b14-11+/t15-,16-,18-/m1/s1
InChIKeyGAYOACHZJZRQDU-KUYLTSQGSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.57
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

(5E)-5-benzylidene-2,2,4-trimethylcyclopentan-1-ol
CID 102014936
(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
CID 10242437
(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol
CID 46919084
[(2E)-2-benzylidene-4,4-dimethylcyclopentyl]-dimethyl-phenylsilane
CID 139263743
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
(3E)-2,2-dimethyl-3-[(4-phenylphenyl)methylidene]cyclobutan-1-ol
CID 46919184
(3Z)-3-benzylidene-2,2-dimethyloxolane
CID 177435571
(1R,2R,5Z,9R)-5-benzylidene-2,10,10-trimethyl-3-oxa-6-azatricyclo[7.1.1.02,7]undec-6-en-4-one
CID 10902514
3-benzylidene-4-methyloxolane
CID 11725420
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
methyl (2E)-2-[(2Z)-2-benzylidenecyclohexylidene]acetate
CID 101066852
(3E)-3-benzylidene-1,4,4-trimethylbicyclo[3.2.0]heptan-2-one
CID 90473499

Frequently Asked Questions

What is the IUPAC name of (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol (CID 102403651) is (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol is CC1(C)[C@H](O)/C(=C\c2ccccc2)[C@]2([Si](C)(C)C)C[C@H]12.
What is the InChIKey of (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol?
The InChIKey is GAYOACHZJZRQDU-KUYLTSQGSA-N. The full InChI is InChI=1S/C18H26OSi/c1-17(2)15-12-18(15,20(3,4)5)14(16(17)19)11-13-9-7-6-8-10-13/h6-11,15-16,19H,12H2,1-5H3/b14-11+/t15-,16-,18-/m1/s1.
What are the key properties of (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol?
(1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol has a molecular weight of 286.49 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,3S,5R)-2-benzylidene-4,4-dimethyl-1-trimethylsilylbicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 102403651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).