4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane

C15H32O2 — CID 58319895

IUPAC4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane
SMILESCC(C)CCCOC(C)(C)OCCCC(C)C
InChIInChI=1S/C15H32O2/c1-13(2)9-7-11-16-15(5,6)17-12-8-10-14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyFCYJXHMKFWFYGT-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.63
Rot. Bonds10

About 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane

4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane (PubChem CID 58319895) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane.

Molecular Properties

Compound Name4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane
PubChem CID58319895
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane
SMILESCC(C)CCCOC(C)(C)OCCCC(C)C
InChIInChI=1S/C15H32O2/c1-13(2)9-7-11-16-15(5,6)17-12-8-10-14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyFCYJXHMKFWFYGT-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-Methylbutoxy)ethoxy]pentane
CID 53428150
1,1'-Isopropylidenebis(oxy)bis(2-ethylhexane)
CID 11781575
Ethyl 2-methylpentyl carbonate
CID 91698427
Carbonic acid, isobutyl isohexyl ester
CID 6420716
Carbonic acid, isohexyl methyl ester
CID 6421219
Carbonic acid, ethyl isohexyl ester
CID 6421509
2-Methylpentyl propyl carbonate
CID 85586293
Isobutyl 2-methylpentyl carbonate
CID 91693242
(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
CID 135353779
2,2-Dibutoxy-3-methylbutane
CID 141392709
2,2-Dimethoxy-3-methyl-4-propan-2-yloxetane
CID 13429188
3-Triethoxy-4-methylpentane
CID 129805321

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane?
The IUPAC name of 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane (CID 58319895) is 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane.
What is the SMILES notation for 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane?
The canonical SMILES for 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane is CC(C)CCCOC(C)(C)OCCCC(C)C.
What is the InChIKey of 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane?
The InChIKey is FCYJXHMKFWFYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-13(2)9-7-11-16-15(5,6)17-12-8-10-14(3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane?
4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane has a molecular weight of 244.42 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane is sourced from PubChem (CID 58319895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).