1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane

C16H32O2 — CID 155602878

IUPAC1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane
SMILESCC(C)(C)CCCOC/C=C\COCC(C)(C)C
InChIInChI=1S/C16H32O2/c1-15(2,3)10-9-13-17-11-7-8-12-18-14-16(4,5)6/h7-8H,9-14H2,1-6H3/b8-7-
InChIKeyIIBVILFUAFGSSA-FPLPWBNLSA-N
MW256.43 g/mol
LogP4.45
Rot. Bonds8

About 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane

1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane (PubChem CID 155602878) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane.

Molecular Properties

Compound Name1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane
PubChem CID155602878
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane
SMILESCC(C)(C)CCCOC/C=C\COCC(C)(C)C
InChIInChI=1S/C16H32O2/c1-15(2,3)10-9-13-17-11-7-8-12-18-14-16(4,5)6/h7-8H,9-14H2,1-6H3/b8-7-
InChIKeyIIBVILFUAFGSSA-FPLPWBNLSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane
CID 162057209
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
4-(3,3-dimethylbutoxy)but-2-en-1-amine
CID 77135452
1-[(E)-but-2-enoxy]-3,3-dimethylbutane
CID 165165708
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;2,2,6,6-tetramethylheptane;(Z)-2,2,6,6-tetramethylhept-3-ene;(3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene;2,2,7,7-tetramethyloctane
CID 167646267
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
3-(4,4-dimethylpentoxy)propoxysilane
CID 123352079
1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
CID 58571431
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane?
The IUPAC name of 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane (CID 155602878) is 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane.
What is the SMILES notation for 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane?
The canonical SMILES for 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane is CC(C)(C)CCCOC/C=C\COCC(C)(C)C.
What is the InChIKey of 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane?
The InChIKey is IIBVILFUAFGSSA-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H32O2/c1-15(2,3)10-9-13-17-11-7-8-12-18-14-16(4,5)6/h7-8H,9-14H2,1-6H3/b8-7-.
What are the key properties of 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane?
1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane has a molecular weight of 256.43 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane is sourced from PubChem (CID 155602878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).