3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol

C18H36O2Si — CID 10925021

IUPAC3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol
SMILESCC1=C(CCCO)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H36O2Si/c1-14-12-15(20-21(7,8)17(2,3)4)13-18(5,6)16(14)10-9-11-19/h15,19H,9-13H2,1-8H3/t15-/m1/s1
InChIKeyHCNVFQOYQDTRDY-OAHLLOKOSA-N
MW312.57 g/mol
LogP5.29
Rot. Bonds5

About 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol

3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol (PubChem CID 10925021) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol
PubChem CID10925021
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol
SMILESCC1=C(CCCO)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H36O2Si/c1-14-12-15(20-21(7,8)17(2,3)4)13-18(5,6)16(14)10-9-11-19/h15,19H,9-13H2,1-8H3/t15-/m1/s1
InChIKeyHCNVFQOYQDTRDY-OAHLLOKOSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.29
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 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol with MolForge

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Related Compounds

(1R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 101117796
(1R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 11298813
(1S)-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-ol
CID 100927631
(1R)-3-[(3S)-3-hydroxybutyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 102026252
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-ol
CID 15406338
(1R,6R)-4-tert-butyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984257
2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl)-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol
CID 102518990
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
3-Hydroxy-7,8-dihydro-beta-ionone
CID 91747289
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 10541081
2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol
CID 45102243
(1S)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 163002518

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol?
The IUPAC name of 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol (CID 10925021) is 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol?
The canonical SMILES for 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol is CC1=C(CCCO)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol?
The InChIKey is HCNVFQOYQDTRDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-14-12-15(20-21(7,8)17(2,3)4)13-18(5,6)16(14)10-9-11-19/h15,19H,9-13H2,1-8H3/t15-/m1/s1.
What are the key properties of 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol?
3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol is sourced from PubChem (CID 10925021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).