8-butan-2-yloxy-8-ethyldec-1-ene

C16H31O- — CID 91359924

IUPAC8-butan-2-yloxy-8-ethyldec-1-ene
SMILESC=CCCCCCC(C[CH2-])(CC)OC(C)CC
InChIInChI=1S/C16H31O/c1-6-10-11-12-13-14-16(8-3,9-4)17-15(5)7-2/h6,15H,1,3,7-14H2,2,4-5H3/q-1
InChIKeyPDYAZIUAIJVVCX-UHFFFAOYSA-N
MW239.42 g/mol
LogP5.31
Rot. Bonds11

About 8-butan-2-yloxy-8-ethyldec-1-ene

8-butan-2-yloxy-8-ethyldec-1-ene (PubChem CID 91359924) has the molecular formula C16H31O- and a molecular weight of 239.42 g/mol. Its IUPAC name is 8-butan-2-yloxy-8-ethyldec-1-ene.

Molecular Properties

Compound Name8-butan-2-yloxy-8-ethyldec-1-ene
PubChem CID91359924
Molecular FormulaC16H31O-
Molecular Weight239.42 g/mol
Exact Mass239.24
IUPAC Name8-butan-2-yloxy-8-ethyldec-1-ene
SMILESC=CCCCCCC(C[CH2-])(CC)OC(C)CC
InChIInChI=1S/C16H31O/c1-6-10-11-12-13-14-16(8-3,9-4)17-15(5)7-2/h6,15H,1,3,7-14H2,2,4-5H3/q-1
InChIKeyPDYAZIUAIJVVCX-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 56936246
cis-7,8-Epoxy-2-methyloctadec-17-ene
CID 76463834
2,2-Dimethyl-3-pent-4-enyloxirane
CID 11263534
Thromboxene
CID 57129285
2,6,14-Trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadecane
CID 42608271
(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 131997498
10-(3-Fluoropropoxy)-3,6,7-trimethylundec-1-ene
CID 144978930
2-Methyl-2-prop-2-enyl-4-propyloxetane
CID 12046569
9-[(2-Methylpropan-2-yl)oxy]non-1-ene
CID 21617222
1-Methoxy-1-(2-propenyl)cycloheptane
CID 12148225
2-Prop-2-enyl-1-oxaspiro[4.5]decane
CID 14925029
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yloxy-8-ethyldec-1-ene?
The IUPAC name of 8-butan-2-yloxy-8-ethyldec-1-ene (CID 91359924) is 8-butan-2-yloxy-8-ethyldec-1-ene.
What is the SMILES notation for 8-butan-2-yloxy-8-ethyldec-1-ene?
The canonical SMILES for 8-butan-2-yloxy-8-ethyldec-1-ene is C=CCCCCCC(C[CH2-])(CC)OC(C)CC.
What is the InChIKey of 8-butan-2-yloxy-8-ethyldec-1-ene?
The InChIKey is PDYAZIUAIJVVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O/c1-6-10-11-12-13-14-16(8-3,9-4)17-15(5)7-2/h6,15H,1,3,7-14H2,2,4-5H3/q-1.
What are the key properties of 8-butan-2-yloxy-8-ethyldec-1-ene?
8-butan-2-yloxy-8-ethyldec-1-ene has a molecular weight of 239.42 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yloxy-8-ethyldec-1-ene is sourced from PubChem (CID 91359924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).