1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene

C14H26O — CID 57246354

IUPAC1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene
SMILESCCC(C)(C)C=COC=CC(C)(C)CC
InChIInChI=1S/C14H26O/c1-7-13(3,4)9-11-15-12-10-14(5,6)8-2/h9-12H,7-8H2,1-6H3
InChIKeyMEZPSSOGCCSPMH-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.90
Rot. Bonds6

About 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene

1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene (PubChem CID 57246354) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene.

Molecular Properties

Compound Name1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene
PubChem CID57246354
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene
SMILESCCC(C)(C)C=COC=CC(C)(C)CC
InChIInChI=1S/C14H26O/c1-7-13(3,4)9-11-15-12-10-14(5,6)8-2/h9-12H,7-8H2,1-6H3
InChIKeyMEZPSSOGCCSPMH-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene?
The IUPAC name of 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene (CID 57246354) is 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene.
What is the SMILES notation for 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene?
The canonical SMILES for 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene is CCC(C)(C)C=COC=CC(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene?
The InChIKey is MEZPSSOGCCSPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-7-13(3,4)9-11-15-12-10-14(5,6)8-2/h9-12H,7-8H2,1-6H3.
What are the key properties of 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene?
1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene has a molecular weight of 210.36 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene is sourced from PubChem (CID 57246354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).