3-ethenoxy-2-methyl-3-propan-2-ylhexane

C12H24O — CID 141071464

IUPAC3-ethenoxy-2-methyl-3-propan-2-ylhexane
SMILESC=COC(CCC)(C(C)C)C(C)C
InChIInChI=1S/C12H24O/c1-7-9-12(10(3)4,11(5)6)13-8-2/h8,10-11H,2,7,9H2,1,3-6H3
InChIKeyUSEWQICVBKVUFB-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.00
Rot. Bonds6

About 3-ethenoxy-2-methyl-3-propan-2-ylhexane

3-ethenoxy-2-methyl-3-propan-2-ylhexane (PubChem CID 141071464) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-ethenoxy-2-methyl-3-propan-2-ylhexane.

Molecular Properties

Compound Name3-ethenoxy-2-methyl-3-propan-2-ylhexane
PubChem CID141071464
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-ethenoxy-2-methyl-3-propan-2-ylhexane
SMILESC=COC(CCC)(C(C)C)C(C)C
InChIInChI=1S/C12H24O/c1-7-9-12(10(3)4,11(5)6)13-8-2/h8,10-11H,2,7,9H2,1,3-6H3
InChIKeyUSEWQICVBKVUFB-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-2-methyl-3-propan-2-ylhexane?
The IUPAC name of 3-ethenoxy-2-methyl-3-propan-2-ylhexane (CID 141071464) is 3-ethenoxy-2-methyl-3-propan-2-ylhexane.
What is the SMILES notation for 3-ethenoxy-2-methyl-3-propan-2-ylhexane?
The canonical SMILES for 3-ethenoxy-2-methyl-3-propan-2-ylhexane is C=COC(CCC)(C(C)C)C(C)C.
What is the InChIKey of 3-ethenoxy-2-methyl-3-propan-2-ylhexane?
The InChIKey is USEWQICVBKVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-7-9-12(10(3)4,11(5)6)13-8-2/h8,10-11H,2,7,9H2,1,3-6H3.
What are the key properties of 3-ethenoxy-2-methyl-3-propan-2-ylhexane?
3-ethenoxy-2-methyl-3-propan-2-ylhexane has a molecular weight of 184.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2-methyl-3-propan-2-ylhexane is sourced from PubChem (CID 141071464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).