(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol

C20H40O2Si — CID 71177684

IUPAC(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol
SMILESCC(C)CC/C=C/[C@H]1C[C@H](O)CC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-16(2)10-8-9-11-17-14-19(21)13-12-18(17)15-22-23(6,7)20(3,4)5/h9,11,16-19,21H,8,10,12-15H2,1-7H3/b11-9+/t17-,18+,19+/m0/s1
InChIKeyBEQBILVUUUZTIH-MKKXOAKOSA-N
MW340.62 g/mol
LogP5.78
Rot. Bonds7

About (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol

(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol (PubChem CID 71177684) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol
PubChem CID71177684
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol
SMILESCC(C)CC/C=C/[C@H]1C[C@H](O)CC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-16(2)10-8-9-11-17-14-19(21)13-12-18(17)15-22-23(6,7)20(3,4)5/h9,11,16-19,21H,8,10,12-15H2,1-7H3/b11-9+/t17-,18+,19+/m0/s1
InChIKeyBEQBILVUUUZTIH-MKKXOAKOSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.78
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol?
The IUPAC name of (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol (CID 71177684) is (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol?
The canonical SMILES for (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol is CC(C)CC/C=C/[C@H]1C[C@H](O)CC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol?
The InChIKey is BEQBILVUUUZTIH-MKKXOAKOSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-16(2)10-8-9-11-17-14-19(21)13-12-18(17)15-22-23(6,7)20(3,4)5/h9,11,16-19,21H,8,10,12-15H2,1-7H3/b11-9+/t17-,18+,19+/m0/s1.
What are the key properties of (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol?
(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol has a molecular weight of 340.62 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 71177684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).