1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane

C15H30O2 — CID 142574605

IUPAC1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane
SMILESC=C(OCC(OC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30O2/c1-11(2)17-13(15(7,8)9)10-16-12(3)14(4,5)6/h11,13H,3,10H2,1-2,4-9H3
InChIKeySGZRRLPUZVEWMA-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.40
Rot. Bonds5

About 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane

1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane (PubChem CID 142574605) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane
PubChem CID142574605
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane
SMILESC=C(OCC(OC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30O2/c1-11(2)17-13(15(7,8)9)10-16-12(3)14(4,5)6/h11,13H,3,10H2,1-2,4-9H3
InChIKeySGZRRLPUZVEWMA-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane (CID 142574605) is 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane is C=C(OCC(OC(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane?
The InChIKey is SGZRRLPUZVEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-11(2)17-13(15(7,8)9)10-16-12(3)14(4,5)6/h11,13H,3,10H2,1-2,4-9H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane?
1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane has a molecular weight of 242.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane is sourced from PubChem (CID 142574605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).