2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane

C18H32O2 — CID 137471472

IUPAC2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane
SMILESC=CCCC1OC(CCCC)C(C)C(OCC=C)C1C
InChIInChI=1S/C18H32O2/c1-6-9-11-16-14(4)18(19-13-8-3)15(5)17(20-16)12-10-7-2/h6,8,14-18H,1,3,7,9-13H2,2,4-5H3
InChIKeyICVXCXHRHLJTLK-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.75
Rot. Bonds9

About 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane

2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane (PubChem CID 137471472) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane
PubChem CID137471472
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane
SMILESC=CCCC1OC(CCCC)C(C)C(OCC=C)C1C
InChIInChI=1S/C18H32O2/c1-6-9-11-16-14(4)18(19-13-8-3)15(5)17(20-16)12-10-7-2/h6,8,14-18H,1,3,7,9-13H2,2,4-5H3
InChIKeyICVXCXHRHLJTLK-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.75
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 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane?
The IUPAC name of 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane (CID 137471472) is 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane.
What is the SMILES notation for 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane?
The canonical SMILES for 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane is C=CCCC1OC(CCCC)C(C)C(OCC=C)C1C.
What is the InChIKey of 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane?
The InChIKey is ICVXCXHRHLJTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-6-9-11-16-14(4)18(19-13-8-3)15(5)17(20-16)12-10-7-2/h6,8,14-18H,1,3,7,9-13H2,2,4-5H3.
What are the key properties of 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane?
2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane has a molecular weight of 280.45 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane is sourced from PubChem (CID 137471472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).