4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene

C16H32O2 — CID 139396318

IUPAC4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OC(C)(C)CC
InChIInChI=1S/C16H32O2/c1-9-11-15(5,6)17-13-12-16(7,8)18-14(3,4)10-2/h9H,1,10-13H2,2-8H3
InChIKeyOCMLKEKZJFGOKE-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.73
Rot. Bonds9

About 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene

4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene (PubChem CID 139396318) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene.

Molecular Properties

Compound Name4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene
PubChem CID139396318
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OC(C)(C)CC
InChIInChI=1S/C16H32O2/c1-9-11-15(5,6)17-13-12-16(7,8)18-14(3,4)10-2/h9H,1,10-13H2,2-8H3
InChIKeyOCMLKEKZJFGOKE-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene?
The IUPAC name of 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene (CID 139396318) is 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene.
What is the SMILES notation for 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene?
The canonical SMILES for 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene is C=CCC(C)(C)OCCC(C)(C)OC(C)(C)CC.
What is the InChIKey of 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene?
The InChIKey is OCMLKEKZJFGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-9-11-15(5,6)17-13-12-16(7,8)18-14(3,4)10-2/h9H,1,10-13H2,2-8H3.
What are the key properties of 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene?
4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene has a molecular weight of 256.43 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]pent-1-ene is sourced from PubChem (CID 139396318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).