1-(3-methylbut-2-enoxy)decane

C15H30O — CID 101441077

IUPAC1-(3-methylbut-2-enoxy)decane
SMILESCCCCCCCCCCOCC=C(C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h12H,4-11,13-14H2,1-3H3
InChIKeyJDUFVMYCPYPHBC-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds11

About 1-(3-methylbut-2-enoxy)decane

1-(3-methylbut-2-enoxy)decane (PubChem CID 101441077) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-(3-methylbut-2-enoxy)decane.

Molecular Properties

Compound Name1-(3-methylbut-2-enoxy)decane
PubChem CID101441077
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-(3-methylbut-2-enoxy)decane
SMILESCCCCCCCCCCOCC=C(C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h12H,4-11,13-14H2,1-3H3
InChIKeyJDUFVMYCPYPHBC-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 520600
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1-[(2-Methylprop-2-EN-1-YL)oxy]hexadecane
CID 14475897
1-(2-Methylprop-2-enoxy)octane
CID 10954221
3-Hexyl-2,5-dihydrofuran
CID 15647310
1-Hexyloxymethyl-cyclopropene
CID 22621680
3-Nonyloxy-propene
CID 13225457
1-(4-Octoxybut-2-enoxy)octane
CID 15017869
3-(Dodecyloxy)-1-propene
CID 22051759
1,9-Bis(3-methylbut-2-enoxy)nonane
CID 162681584
1-[(E)-but-2-enoxy]decane
CID 11063762

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enoxy)decane?
The IUPAC name of 1-(3-methylbut-2-enoxy)decane (CID 101441077) is 1-(3-methylbut-2-enoxy)decane.
What is the SMILES notation for 1-(3-methylbut-2-enoxy)decane?
The canonical SMILES for 1-(3-methylbut-2-enoxy)decane is CCCCCCCCCCOCC=C(C)C.
What is the InChIKey of 1-(3-methylbut-2-enoxy)decane?
The InChIKey is JDUFVMYCPYPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h12H,4-11,13-14H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enoxy)decane?
1-(3-methylbut-2-enoxy)decane has a molecular weight of 226.40 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enoxy)decane is sourced from PubChem (CID 101441077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).