triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane

C22H42GeO — CID 134905046

IUPACtriethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane
SMILESC/C=C/C(=C\C[Ge](CC)(CC)CC)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C22H42GeO/c1-8-12-20(15-16-23(9-2,10-3)11-4)24-22-17-19(7)13-14-21(22)18(5)6/h8,12,15,18-19,21-22H,9-11,13-14,16-17H2,1-7H3/b12-8+,20-15+/t19-,21+,22-/m0/s1
InChIKeyBWOSOEUREAWTEY-VBXZMAJGSA-N
MW395.19 g/mol
LogP7.43
Rot. Bonds9

About triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane

triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane (PubChem CID 134905046) has the molecular formula C22H42GeO and a molecular weight of 395.19 g/mol. Its IUPAC name is triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane.

Molecular Properties

Compound Nametriethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane
PubChem CID134905046
Molecular FormulaC22H42GeO
Molecular Weight395.19 g/mol
Exact Mass396.24
IUPAC Nametriethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane
SMILESC/C=C/C(=C\C[Ge](CC)(CC)CC)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C22H42GeO/c1-8-12-20(15-16-23(9-2,10-3)11-4)24-22-17-19(7)13-14-21(22)18(5)6/h8,12,15,18-19,21-22H,9-11,13-14,16-17H2,1-7H3/b12-8+,20-15+/t19-,21+,22-/m0/s1
InChIKeyBWOSOEUREAWTEY-VBXZMAJGSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.19
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-enoate
CID 71371222
(1S,2R,4R)-2-[(E)-1-bromoprop-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 11380333
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate
CID 25196076
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxoacetate;hydrate
CID 22831495
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane?
The IUPAC name of triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane (CID 134905046) is triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane.
What is the SMILES notation for triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane?
The canonical SMILES for triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane is C/C=C/C(=C\C[Ge](CC)(CC)CC)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane?
The InChIKey is BWOSOEUREAWTEY-VBXZMAJGSA-N. The full InChI is InChI=1S/C22H42GeO/c1-8-12-20(15-16-23(9-2,10-3)11-4)24-22-17-19(7)13-14-21(22)18(5)6/h8,12,15,18-19,21-22H,9-11,13-14,16-17H2,1-7H3/b12-8+,20-15+/t19-,21+,22-/m0/s1.
What are the key properties of triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane?
triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane has a molecular weight of 395.19 g/mol, XLogP of 7.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E,4E)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexa-2,4-dienyl]germane is sourced from PubChem (CID 134905046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).