(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol

C22H42O2Si — CID 10595092

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
SMILESC=C1CCCC(C)(C)C1CCC(C)(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-18-12-10-14-21(5,6)19(18)13-16-22(7,23)15-11-17-24-25(8,9)20(2,3)4/h11,15,19,23H,1,10,12-14,16-17H2,2-9H3/b15-11+
InChIKeyYEIVVTPCBPTDLB-RVDMUPIBSA-N
MW366.66 g/mol
LogP6.48
Rot. Bonds7

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol (PubChem CID 10595092) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
PubChem CID10595092
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
SMILESC=C1CCCC(C)(C)C1CCC(C)(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-18-12-10-14-21(5,6)19(18)13-16-22(7,23)15-11-17-24-25(8,9)20(2,3)4/h11,15,19,23H,1,10,12-14,16-17H2,2-9H3/b15-11+
InChIKeyYEIVVTPCBPTDLB-RVDMUPIBSA-N
XLogP6.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.48
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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Related Compounds

4-Ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
CID 3023576
2-Hexene-1,4-diol, 4-ethyl-6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, cyclized
CID 6366429
(3S)-5-[(1R,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
CID 162994951
(2Z)-2-[(2S,3R,4R)-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,6E,8S)-4,8,12-trimethyltrideca-3,6,11-trienyl]cyclohexylidene]propan-1-ol
CID 163045823
(E,6S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol
CID 163047602
(2E,5E,7S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,5-diene-1,7-diol
CID 163055306
(E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol
CID 163186769
1-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)penta-1,3-dienyl]-2,2,6-trimethylcyclohexan-1-ol
CID 134979740
(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232553
(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232584
(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232605
(2E)-2-[(1R,3aS,7aR)-1-[(2S,3R)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 168232608

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol (CID 10595092) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol is C=C1CCCC(C)(C)C1CCC(C)(O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol?
The InChIKey is YEIVVTPCBPTDLB-RVDMUPIBSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-18-12-10-14-21(5,6)19(18)13-16-22(7,23)15-11-17-24-25(8,9)20(2,3)4/h11,15,19,23H,1,10,12-14,16-17H2,2-9H3/b15-11+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol has a molecular weight of 366.66 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol is sourced from PubChem (CID 10595092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).