5-ethoxy-2,3,3,5-tetramethylhex-1-ene

C12H24O — CID 123748852

IUPAC5-ethoxy-2,3,3,5-tetramethylhex-1-ene
SMILESC=C(C)C(C)(C)CC(C)(C)OCC
InChIInChI=1S/C12H24O/c1-8-13-12(6,7)9-11(4,5)10(2)3/h2,8-9H2,1,3-7H3
InChIKeyBKGBCJPBRXWRNK-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds5

About 5-ethoxy-2,3,3,5-tetramethylhex-1-ene

5-ethoxy-2,3,3,5-tetramethylhex-1-ene (PubChem CID 123748852) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-ethoxy-2,3,3,5-tetramethylhex-1-ene.

Molecular Properties

Compound Name5-ethoxy-2,3,3,5-tetramethylhex-1-ene
PubChem CID123748852
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-ethoxy-2,3,3,5-tetramethylhex-1-ene
SMILESC=C(C)C(C)(C)CC(C)(C)OCC
InChIInChI=1S/C12H24O/c1-8-13-12(6,7)9-11(4,5)10(2)3/h2,8-9H2,1,3-7H3
InChIKeyBKGBCJPBRXWRNK-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2,4,5,5-tetramethylhex-1-ene
CID 134930792
5,5-Bis(methoxymethyl)-7-methylocta-1,2,7-triene
CID 135079904
2-(Fluoromethyl)-4-(methoxymethyl)-4-methylhex-1-ene
CID 144407134
5-Butoxy-5-ethylhept-1-ene
CID 17824917
6-Butoxy-6-methylhept-1-ene
CID 17825246
2,2,3,3,4,4,5-Heptamethylpyran
CID 20826706
6-Ethoxy-2,6-dimethylhept-1-ene
CID 54229525
4-(Ethoxymethyl)-4-(methoxymethyl)-2,5-dimethylhex-1-ene
CID 85756855
2,3-Dimethyl-6-propoxyhex-1-ene
CID 89138957
3-Ethyl-3-(2-methylprop-2-enyl)oxetane
CID 89146557
4,4-Dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane
CID 89397951
1-Ethyl-1-(1-propoxyethenyl)cyclobutane
CID 118964872

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,3,3,5-tetramethylhex-1-ene?
The IUPAC name of 5-ethoxy-2,3,3,5-tetramethylhex-1-ene (CID 123748852) is 5-ethoxy-2,3,3,5-tetramethylhex-1-ene.
What is the SMILES notation for 5-ethoxy-2,3,3,5-tetramethylhex-1-ene?
The canonical SMILES for 5-ethoxy-2,3,3,5-tetramethylhex-1-ene is C=C(C)C(C)(C)CC(C)(C)OCC.
What is the InChIKey of 5-ethoxy-2,3,3,5-tetramethylhex-1-ene?
The InChIKey is BKGBCJPBRXWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-13-12(6,7)9-11(4,5)10(2)3/h2,8-9H2,1,3-7H3.
What are the key properties of 5-ethoxy-2,3,3,5-tetramethylhex-1-ene?
5-ethoxy-2,3,3,5-tetramethylhex-1-ene has a molecular weight of 184.32 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,3,3,5-tetramethylhex-1-ene is sourced from PubChem (CID 123748852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).