1,1-bis(prop-2-enoxy)nonane

C15H28O2 — CID 123908723

IUPAC1,1-bis(prop-2-enoxy)nonane
SMILESC=CCOC(CCCCCCCC)OCC=C
InChIInChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-15(16-13-5-2)17-14-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyNYVYZMZPYHTJOT-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds13

About 1,1-bis(prop-2-enoxy)nonane

1,1-bis(prop-2-enoxy)nonane (PubChem CID 123908723) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,1-bis(prop-2-enoxy)nonane.

Molecular Properties

Compound Name1,1-bis(prop-2-enoxy)nonane
PubChem CID123908723
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1,1-bis(prop-2-enoxy)nonane
SMILESC=CCOC(CCCCCCCC)OCC=C
InChIInChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-15(16-13-5-2)17-14-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyNYVYZMZPYHTJOT-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane
CID 23651623
4-prop-2-enoxydecane
CID 102003307
2-prop-2-enoxyheptane
CID 142701865
1,1-bis(ethenoxy)octadecane
CID 19822568
3-prop-2-enoxyoct-1-yne
CID 11126647
1,1-dibutoxyoctane
CID 54557001
1,1-dimethoxytetradecane
CID 13265409
12,12-diethoxydodec-1-ene
CID 146004846
(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne
CID 11107774
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
bis(prop-2-enyl) 2-heptylpropanedioate
CID 21304231
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enoxy)nonane?
The IUPAC name of 1,1-bis(prop-2-enoxy)nonane (CID 123908723) is 1,1-bis(prop-2-enoxy)nonane.
What is the SMILES notation for 1,1-bis(prop-2-enoxy)nonane?
The canonical SMILES for 1,1-bis(prop-2-enoxy)nonane is C=CCOC(CCCCCCCC)OCC=C.
What is the InChIKey of 1,1-bis(prop-2-enoxy)nonane?
The InChIKey is NYVYZMZPYHTJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-15(16-13-5-2)17-14-6-3/h5-6,15H,2-4,7-14H2,1H3.
What are the key properties of 1,1-bis(prop-2-enoxy)nonane?
1,1-bis(prop-2-enoxy)nonane has a molecular weight of 240.39 g/mol, XLogP of 4.47, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enoxy)nonane is sourced from PubChem (CID 123908723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).