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

C33H64O6 — CID 170054726

IUPAC4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)(C)CC=C
InChIInChI=1S/C33H64O6/c1-15-17-29(5,6)35-23-20-32(11,12)38-26-28(25-37-31(9,10)19-22-34-27(3)4)39-33(13,14)21-24-36-30(7,8)18-16-2/h15-16,27-28H,1-2,17-26H2,3-14H3
InChIKeyIMUIMPXJSDKTCH-UHFFFAOYSA-N
MW556.87 g/mol
LogP8.08
Rot. Bonds24

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-propan-2-yloxybutan-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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene (PubChem CID 170054726) has the molecular formula C33H64O6 and a molecular weight of 556.87 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-propan-2-yloxybutan-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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene
PubChem CID170054726
Molecular FormulaC33H64O6
Molecular Weight556.87 g/mol
Exact Mass556.47
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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)(C)CC=C
InChIInChI=1S/C33H64O6/c1-15-17-29(5,6)35-23-20-32(11,12)38-26-28(25-37-31(9,10)19-22-34-27(3)4)39-33(13,14)21-24-36-30(7,8)18-16-2/h15-16,27-28H,1-2,17-26H2,3-14H3
InChIKeyIMUIMPXJSDKTCH-UHFFFAOYSA-N
XLogP8.08
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.87
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-4-[3-methyl-3-[2-[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxy-3-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene with MolForge

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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-propan-2-yloxybutan-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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene (CID 170054726) 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-propan-2-yloxybutan-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-propan-2-yloxybutan-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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene is C=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene?
The InChIKey is IMUIMPXJSDKTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O6/c1-15-17-29(5,6)35-23-20-32(11,12)38-26-28(25-37-31(9,10)19-22-34-27(3)4)39-33(13,14)21-24-36-30(7,8)18-16-2/h15-16,27-28H,1-2,17-26H2,3-14H3.
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-propan-2-yloxybutan-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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene has a molecular weight of 556.87 g/mol, XLogP of 8.08, 24 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-propan-2-yloxybutan-2-yl)oxypropoxy]butoxy]pent-1-ene is sourced from PubChem (CID 170054726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).