4-ethyl-4-methyl-3-methylidene-1-propoxyhexane

C13H26O — CID 123390908

IUPAC4-ethyl-4-methyl-3-methylidene-1-propoxyhexane
SMILESC=C(CCOCCC)C(C)(CC)CC
InChIInChI=1S/C13H26O/c1-6-10-14-11-9-12(4)13(5,7-2)8-3/h4,6-11H2,1-3,5H3
InChIKeyVTVYQDJCYJZRCE-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.19
Rot. Bonds8

About 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane

4-ethyl-4-methyl-3-methylidene-1-propoxyhexane (PubChem CID 123390908) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane.

Molecular Properties

Compound Name4-ethyl-4-methyl-3-methylidene-1-propoxyhexane
PubChem CID123390908
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-ethyl-4-methyl-3-methylidene-1-propoxyhexane
SMILESC=C(CCOCCC)C(C)(CC)CC
InChIInChI=1S/C13H26O/c1-6-10-14-11-9-12(4)13(5,7-2)8-3/h4,6-11H2,1-3,5H3
InChIKeyVTVYQDJCYJZRCE-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.19
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

2,2-dichloro-1-propoxypropane
CID 91753628
8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine
CID 166923772
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
CID 57214605
lanthanum;tris(2-methyl-1-propoxypropan-2-ol)
CID 87836481
3-(propoxymethyl)pentan-3-ol
CID 79567363
butane;methane;2-methylbutane;2-methylpropan-2-ol;2-methylprop-1-ene;bis(1-propoxypropane)
CID 162022097
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
3-methyl-5-propoxypent-2-ene
CID 123743714
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
3-propoxypropanethioamide
CID 43248084
ethane;propane;1-propoxypropane
CID 143757970
2-(hydroxymethyl)-2-methylpropane-1,3-diol;bis(2-methylprop-2-enoic acid);1-propoxypropane
CID 173247855

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane?
The IUPAC name of 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane (CID 123390908) is 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane.
What is the SMILES notation for 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane?
The canonical SMILES for 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane is C=C(CCOCCC)C(C)(CC)CC.
What is the InChIKey of 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane?
The InChIKey is VTVYQDJCYJZRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-10-14-11-9-12(4)13(5,7-2)8-3/h4,6-11H2,1-3,5H3.
What are the key properties of 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane?
4-ethyl-4-methyl-3-methylidene-1-propoxyhexane has a molecular weight of 198.35 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-3-methylidene-1-propoxyhexane is sourced from PubChem (CID 123390908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).