(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol

C23H42O2Si — CID 134865794

IUPAC(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
SMILESC=CC[C@]1(O)C(C)=CC[C@@H](C(C)C)C1C(O[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C23H42O2Si/c1-12-15-23(24)18(6)13-14-19(16(2)3)20(23)21(17(4)5)25-26(10,11)22(7,8)9/h12-13,16,19-21,24H,1,4,14-15H2,2-3,5-11H3/t19-,20?,21?,23-/m0/s1
InChIKeyVMVYFKOFQZWCBC-XLLVLBFCSA-N
MW378.67 g/mol
LogP6.50
Rot. Bonds7

About (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol

(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol (PubChem CID 134865794) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
PubChem CID134865794
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Name(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
SMILESC=CC[C@]1(O)C(C)=CC[C@@H](C(C)C)C1C(O[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C23H42O2Si/c1-12-15-23(24)18(6)13-14-19(16(2)3)20(23)21(17(4)5)25-26(10,11)22(7,8)9/h12-13,16,19-21,24H,1,4,14-15H2,2-3,5-11H3/t19-,20?,21?,23-/m0/s1
InChIKeyVMVYFKOFQZWCBC-XLLVLBFCSA-N
XLogP6.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 56.50
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 (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-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

Related Compounds

(1R,3R,4E,7S,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3,7-triol
CID 21728622
(4Z,8E,13E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 20839119
(1R,3R,4E,6S,8R,9E,13E)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-4,9,13-triene-1,3,8-triol
CID 44450936
(1S,3R,4E,7R,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3,7-triol
CID 21763259
(1R,3R,4E,7R,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3,7-triol
CID 21728621
(1R,3R,4E,6R,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3,6-triol
CID 44451022
CID 44451025
CID 44451025
5-(Hydroxymethyl)-1,9-dimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 75028833
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol (CID 134865794) is (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol is C=CC[C@]1(O)C(C)=CC[C@@H](C(C)C)C1C(O[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol?
The InChIKey is VMVYFKOFQZWCBC-XLLVLBFCSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-12-15-23(24)18(6)13-14-19(16(2)3)20(23)21(17(4)5)25-26(10,11)22(7,8)9/h12-13,16,19-21,24H,1,4,14-15H2,2-3,5-11H3/t19-,20?,21?,23-/m0/s1.
What are the key properties of (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol?
(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol has a molecular weight of 378.67 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol is sourced from PubChem (CID 134865794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).