4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene

C34H66O6 — CID 170054668

IUPAC4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)(C)C)OC(C)(C)CCOC(C)(C)CC=C
InChIInChI=1S/C34H66O6/c1-16-18-30(6,7)36-24-21-33(12,13)39-27-28(26-38-32(10,11)20-23-35-29(3,4)5)40-34(14,15)22-25-37-31(8,9)19-17-2/h16-17,28H,1-2,18-27H2,3-15H3
InChIKeyFEEMHMGYYCIGIH-UHFFFAOYSA-N
MW570.90 g/mol
LogP8.47
Rot. Bonds23

About 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene

4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene (PubChem CID 170054668) has the molecular formula C34H66O6 and a molecular weight of 570.90 g/mol. Its IUPAC name is 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene.

Molecular Properties

Compound Name4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene
PubChem CID170054668
Molecular FormulaC34H66O6
Molecular Weight570.90 g/mol
Exact Mass570.49
IUPAC Name4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)(C)C)OC(C)(C)CCOC(C)(C)CC=C
InChIInChI=1S/C34H66O6/c1-16-18-30(6,7)36-24-21-33(12,13)39-27-28(26-38-32(10,11)20-23-35-29(3,4)5)40-34(14,15)22-25-37-31(8,9)19-17-2/h16-17,28H,1-2,18-27H2,3-15H3
InChIKeyFEEMHMGYYCIGIH-UHFFFAOYSA-N
XLogP8.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.90
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2,3-Bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene
CID 21349204
4-[[3-[2,3-Bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene
CID 23572288
4-[2,3-Bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene
CID 23572290
4-[[3-[2,3-Bis[2-(propoxymethyl)pent-4-enoxy]propoxy]-2-[2-(propoxymethyl)pent-4-enoxy]propoxy]methyl]-5-propoxypent-1-ene
CID 23572292
1-Ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane
CID 57180275
4,6-Bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene
CID 89078113
4-[2,3-Bis(2-ethylpenta-3,4-dienoxy)propoxymethyl]hexa-1,2-diene;5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene
CID 91296796
4-[2,3-Bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
CID 91512579
(4R,5S)-5-butoxy-4-[(3R)-1,3,4-tributoxybutan-2-yl]oxyhex-1-ene
CID 117691331
4-Methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene
CID 139396318
4-Butoxy-5-(2-butoxypent-4-enoxy)pent-1-ene
CID 140217531
1-Methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane
CID 146436633

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene?
The IUPAC name of 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene (CID 170054668) is 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene.
What is the SMILES notation for 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene?
The canonical SMILES for 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene is C=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)(C)C)OC(C)(C)CCOC(C)(C)CC=C.
What is the InChIKey of 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene?
The InChIKey is FEEMHMGYYCIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O6/c1-16-18-30(6,7)36-24-21-33(12,13)39-27-28(26-38-32(10,11)20-23-35-29(3,4)5)40-34(14,15)22-25-37-31(8,9)19-17-2/h16-17,28H,1-2,18-27H2,3-15H3.
What are the key properties of 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene?
4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene has a molecular weight of 570.90 g/mol, XLogP of 8.47, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropoxy]butoxy]pent-1-ene is sourced from PubChem (CID 170054668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).