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

C14H28O2 — CID 121371615

IUPAC3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene
SMILESC=C(C)C(OC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-10(2)11(13(3,4)5)16-12(15-9)14(6,7)8/h11-12H,1H2,2-9H3
InChIKeyRZXOGTIDPWVDME-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.01
Rot. Bonds4

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

3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene (PubChem CID 121371615) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene
PubChem CID121371615
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene
SMILESC=C(C)C(OC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-10(2)11(13(3,4)5)16-12(15-9)14(6,7)8/h11-12H,1H2,2-9H3
InChIKeyRZXOGTIDPWVDME-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.01
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)-2,4,4-trimethylpent-1-ene?
The IUPAC name of 3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene (CID 121371615) is 3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene.
What is the SMILES notation for 3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene?
The canonical SMILES for 3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene is C=C(C)C(OC(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene?
The InChIKey is RZXOGTIDPWVDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-10(2)11(13(3,4)5)16-12(15-9)14(6,7)8/h11-12H,1H2,2-9H3.
What are the key properties of 3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene?
3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene has a molecular weight of 228.38 g/mol, XLogP of 4.01, 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)-2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 121371615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).