[(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene

C28H40O6 — CID 10254228

IUPAC[(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene
SMILESCCOC(C)OC[C@H]1C[C@H](OC(C)OCC)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H40O6/c1-5-29-21(3)31-20-25-17-26(34-22(4)30-6-2)28(33-19-24-15-11-8-12-16-24)27(25)32-18-23-13-9-7-10-14-23/h7-16,21-22,25-28H,5-6,17-20H2,1-4H3/t21?,22?,25-,26+,27-,28-/m1/s1
InChIKeyVXKKTBSQEDTCAM-FPYDKWNKSA-N
MW472.62 g/mol
LogP5.34
Rot. Bonds15

About [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene

[(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene (PubChem CID 10254228) has the molecular formula C28H40O6 and a molecular weight of 472.62 g/mol. Its IUPAC name is [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene
PubChem CID10254228
Molecular FormulaC28H40O6
Molecular Weight472.62 g/mol
Exact Mass472.28
IUPAC Name[(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene
SMILESCCOC(C)OC[C@H]1C[C@H](OC(C)OCC)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H40O6/c1-5-29-21(3)31-20-25-17-26(34-22(4)30-6-2)28(33-19-24-15-11-8-12-16-24)27(25)32-18-23-13-9-7-10-14-23/h7-16,21-22,25-28H,5-6,17-20H2,1-4H3/t21?,22?,25-,26+,27-,28-/m1/s1
InChIKeyVXKKTBSQEDTCAM-FPYDKWNKSA-N
XLogP5.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene with MolForge

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Related Compounds

[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
[(1R,2R,4S,5S)-4-(1-ethoxyethoxy)-2-(1-ethoxyethoxymethyl)-3-nitro-5-phenylmethoxycyclopentyl]oxymethylbenzene
CID 10029565
[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
CID 101023558
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol
CID 67824226
diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
CID 11228060
CID 148610359
CID 148610359
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene?
The IUPAC name of [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene (CID 10254228) is [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene.
What is the SMILES notation for [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene?
The canonical SMILES for [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene is CCOC(C)OC[C@H]1C[C@H](OC(C)OCC)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene?
The InChIKey is VXKKTBSQEDTCAM-FPYDKWNKSA-N. The full InChI is InChI=1S/C28H40O6/c1-5-29-21(3)31-20-25-17-26(34-22(4)30-6-2)28(33-19-24-15-11-8-12-16-24)27(25)32-18-23-13-9-7-10-14-23/h7-16,21-22,25-28H,5-6,17-20H2,1-4H3/t21?,22?,25-,26+,27-,28-/m1/s1.
What are the key properties of [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene?
[(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene has a molecular weight of 472.62 g/mol, XLogP of 5.34, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,5R)-3-(1-ethoxyethoxy)-5-(1-ethoxyethoxymethyl)-2-phenylmethoxycyclopentyl]oxymethylbenzene is sourced from PubChem (CID 10254228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).