5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene

C14H26O — CID 57199286

IUPAC5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene
SMILESCC(C)CCC=COC=CCCC(C)C
InChIInChI=1S/C14H26O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyCHDKKQRNAGPQMO-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.90
Rot. Bonds8

About 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene

5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene (PubChem CID 57199286) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene.

Molecular Properties

Compound Name5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene
PubChem CID57199286
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene
SMILESCC(C)CCC=COC=CCCC(C)C
InChIInChI=1S/C14H26O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyCHDKKQRNAGPQMO-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.90
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 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene?
The IUPAC name of 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene (CID 57199286) is 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene.
What is the SMILES notation for 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene?
The canonical SMILES for 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene is CC(C)CCC=COC=CCCC(C)C.
What is the InChIKey of 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene?
The InChIKey is CHDKKQRNAGPQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3.
What are the key properties of 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene?
5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene has a molecular weight of 210.36 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methylhex-1-enoxy)hex-1-ene is sourced from PubChem (CID 57199286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).