3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene

C13H26O2 — CID 121371910

IUPAC3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene
SMILESC=CC(OC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-9-10(12(2,3)4)15-11(14-8)13(5,6)7/h9-11H,1H2,2-8H3
InChIKeyXKKDHKDOJXQOIP-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.62
Rot. Bonds4

About 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene

3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene (PubChem CID 121371910) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene
PubChem CID121371910
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene
SMILESC=CC(OC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-9-10(12(2,3)4)15-11(14-8)13(5,6)7/h9-11H,1H2,2-8H3
InChIKeyXKKDHKDOJXQOIP-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene?
The IUPAC name of 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene (CID 121371910) is 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene.
What is the SMILES notation for 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene?
The canonical SMILES for 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene is C=CC(OC(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene?
The InChIKey is XKKDHKDOJXQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-9-10(12(2,3)4)15-11(14-8)13(5,6)7/h9-11H,1H2,2-8H3.
What are the key properties of 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene?
3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene has a molecular weight of 214.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene is sourced from PubChem (CID 121371910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).