(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane

C66H134O9 — CID 118012539

IUPAC(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane
SMILESCC(C)CC(COC[C@H](CC(C)C)C(C)C)OC(COCC(COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)OC[C@H](CC(C)C)C(C)C)COCC(COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C66H134O9/c1-45(2)25-57(50(11)12)30-67-33-61(54(19)20)35-69-36-63(56(23)24)38-72-43-66(75-64(29-49(9)10)40-70-32-59(52(15)16)27-47(5)6)44-73-42-65(74-39-60(53(17)18)28-48(7)8)41-71-37-62(55(21)22)34-68-31-58(51(13)14)26-46(3)4/h45-66H,25-44H2,1-24H3/t57-,58-,59+,60+,61?,62?,63?,64?,65?,66?/m1/s1
InChIKeyFVYFARUWBNKIRF-SFNSDLRUSA-N
MW1071.79 g/mol
LogP16.38
Rot. Bonds50

About (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane

(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane (PubChem CID 118012539) has the molecular formula C66H134O9 and a molecular weight of 1071.79 g/mol. Its IUPAC name is (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane.

Molecular Properties

Compound Name(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane
PubChem CID118012539
Molecular FormulaC66H134O9
Molecular Weight1071.79 g/mol
Exact Mass1071.00
IUPAC Name(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane
SMILESCC(C)CC(COC[C@H](CC(C)C)C(C)C)OC(COCC(COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)OC[C@H](CC(C)C)C(C)C)COCC(COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C66H134O9/c1-45(2)25-57(50(11)12)30-67-33-61(54(19)20)35-69-36-63(56(23)24)38-72-43-66(75-64(29-49(9)10)40-70-32-59(52(15)16)27-47(5)6)44-73-42-65(74-39-60(53(17)18)28-48(7)8)41-71-37-62(55(21)22)34-68-31-58(51(13)14)26-46(3)4/h45-66H,25-44H2,1-24H3/t57-,58-,59+,60+,61?,62?,63?,64?,65?,66?/m1/s1
InChIKeyFVYFARUWBNKIRF-SFNSDLRUSA-N
XLogP16.38
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds50
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.79
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane?
The IUPAC name of (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane (CID 118012539) is (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane.
What is the SMILES notation for (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane?
The canonical SMILES for (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane is CC(C)CC(COC[C@H](CC(C)C)C(C)C)OC(COCC(COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)OC[C@H](CC(C)C)C(C)C)COCC(COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)C(C)C.
What is the InChIKey of (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane?
The InChIKey is FVYFARUWBNKIRF-SFNSDLRUSA-N. The full InChI is InChI=1S/C66H134O9/c1-45(2)25-57(50(11)12)30-67-33-61(54(19)20)35-69-36-63(56(23)24)38-72-43-66(75-64(29-49(9)10)40-70-32-59(52(15)16)27-47(5)6)44-73-42-65(74-39-60(53(17)18)28-48(7)8)41-71-37-62(55(21)22)34-68-31-58(51(13)14)26-46(3)4/h45-66H,25-44H2,1-24H3/t57-,58-,59+,60+,61?,62?,63?,64?,65?,66?/m1/s1.
What are the key properties of (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane?
(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane has a molecular weight of 1071.79 g/mol, XLogP of 16.38, 50 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane is sourced from PubChem (CID 118012539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).