3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane

C11H22O2 — CID 123948630

IUPAC3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane
SMILESC=CCOC(C)(C)CCOC(C)C
InChIInChI=1S/C11H22O2/c1-6-8-13-11(4,5)7-9-12-10(2)3/h6,10H,1,7-9H2,2-5H3
InChIKeyDQJIETNXSXIBOJ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.78
Rot. Bonds7

About 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane

3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane (PubChem CID 123948630) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane
PubChem CID123948630
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane
SMILESC=CCOC(C)(C)CCOC(C)C
InChIInChI=1S/C11H22O2/c1-6-8-13-11(4,5)7-9-12-10(2)3/h6,10H,1,7-9H2,2-5H3
InChIKeyDQJIETNXSXIBOJ-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane?
The IUPAC name of 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane (CID 123948630) is 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane.
What is the SMILES notation for 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane?
The canonical SMILES for 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane is C=CCOC(C)(C)CCOC(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane?
The InChIKey is DQJIETNXSXIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-8-13-11(4,5)7-9-12-10(2)3/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane?
3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane has a molecular weight of 186.29 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yloxy-3-prop-2-enoxybutane is sourced from PubChem (CID 123948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).