2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene

C18H32O — CID 15361421

IUPAC2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene
SMILESC=CCOC(CCCCCCCC)(C(=C)C)C(=C)C
InChIInChI=1S/C18H32O/c1-7-9-10-11-12-13-14-18(16(3)4,17(5)6)19-15-8-2/h8H,2-3,5,7,9-15H2,1,4,6H3
InChIKeyJZEYQIUTOOWHFB-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.83
Rot. Bonds12

About 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene

2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene (PubChem CID 15361421) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene.

Molecular Properties

Compound Name2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene
PubChem CID15361421
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene
SMILESC=CCOC(CCCCCCCC)(C(=C)C)C(=C)C
InChIInChI=1S/C18H32O/c1-7-9-10-11-12-13-14-18(16(3)4,17(5)6)19-15-8-2/h8H,2-3,5,7,9-15H2,1,4,6H3
InChIKeyJZEYQIUTOOWHFB-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene?
The IUPAC name of 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene (CID 15361421) is 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene.
What is the SMILES notation for 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene?
The canonical SMILES for 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene is C=CCOC(CCCCCCCC)(C(=C)C)C(=C)C.
What is the InChIKey of 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene?
The InChIKey is JZEYQIUTOOWHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-7-9-10-11-12-13-14-18(16(3)4,17(5)6)19-15-8-2/h8H,2-3,5,7,9-15H2,1,4,6H3.
What are the key properties of 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene?
2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene has a molecular weight of 264.45 g/mol, XLogP of 5.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene is sourced from PubChem (CID 15361421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).