(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol

C22H40O2Si — CID 152750892

IUPAC(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol
SMILESC/C=C/[C@]1(C)C[C@H](O)[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)C=C[C@H]2C1
InChIInChI=1S/C22H40O2Si/c1-9-12-22(6)13-17-11-10-16(2)18(20(17)19(23)14-22)15-24-25(7,8)21(3,4)5/h9-12,16-20,23H,13-15H2,1-8H3/b12-9+/t16-,17-,18-,19-,20-,22-/m0/s1
InChIKeyZVJFRHVDTZZCML-XIPBIYAJSA-N
MW364.65 g/mol
LogP5.80
Rot. Bonds4

About (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol

(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol (PubChem CID 152750892) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol
PubChem CID152750892
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol
SMILESC/C=C/[C@]1(C)C[C@H](O)[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)C=C[C@H]2C1
InChIInChI=1S/C22H40O2Si/c1-9-12-22(6)13-17-11-10-16(2)18(20(17)19(23)14-22)15-24-25(7,8)21(3,4)5/h9-12,16-20,23H,13-15H2,1-8H3/b12-9+/t16-,17-,18-,19-,20-,22-/m0/s1
InChIKeyZVJFRHVDTZZCML-XIPBIYAJSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol?
The IUPAC name of (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol (CID 152750892) is (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol.
What is the SMILES notation for (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol?
The canonical SMILES for (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol is C/C=C/[C@]1(C)C[C@H](O)[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)C=C[C@H]2C1.
What is the InChIKey of (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol?
The InChIKey is ZVJFRHVDTZZCML-XIPBIYAJSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-9-12-22(6)13-17-11-10-16(2)18(20(17)19(23)14-22)15-24-25(7,8)21(3,4)5/h9-12,16-20,23H,13-15H2,1-8H3/b12-9+/t16-,17-,18-,19-,20-,22-/m0/s1.
What are the key properties of (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol?
(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol has a molecular weight of 364.65 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3-[(E)-prop-1-enyl]-2,4,4a,7,8,8a-hexahydro-1H-naphthalen-1-ol is sourced from PubChem (CID 152750892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).