6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene

C13H26O — CID 176971023

IUPAC6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene
SMILESC=CCCCC(CC)COC(C)(C)C
InChIInChI=1S/C13H26O/c1-6-8-9-10-12(7-2)11-14-13(3,4)5/h6,12H,1,7-11H2,2-5H3
InChIKeyTYBUYVHFWNZVGB-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.18
Rot. Bonds7

About 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene

6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene (PubChem CID 176971023) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene
PubChem CID176971023
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene
SMILESC=CCCCC(CC)COC(C)(C)C
InChIInChI=1S/C13H26O/c1-6-8-9-10-12(7-2)11-14-13(3,4)5/h6,12H,1,7-11H2,2-5H3
InChIKeyTYBUYVHFWNZVGB-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.18
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

1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
CID 107012250
6-ethyltridec-1-ene
CID 174048481
8-ethylpentadec-1-ene
CID 91081893
10-ethyldocos-1-ene
CID 91804827
9-ethylhexadec-1-ene
CID 163949602
6-ethylundeca-1,3,10-triene
CID 123197586
6-propyldec-1-ene
CID 22251175
3-(prop-2-enoxymethyl)heptane
CID 3530837
(2S)-2-ethylundec-10-en-1-ol
CID 170849034
cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
CID 176970861
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
6,8,8-trimethylnon-1-ene
CID 55273877

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene (CID 176971023) is 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene is C=CCCCC(CC)COC(C)(C)C.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene?
The InChIKey is TYBUYVHFWNZVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-8-9-10-12(7-2)11-14-13(3,4)5/h6,12H,1,7-11H2,2-5H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene?
6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene is sourced from PubChem (CID 176971023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).