2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene

C23H44O3 — CID 174933890

IUPAC2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene
SMILESC=CCC(CO)OCC.CCCCCCC=COC=CCCCCCC
InChIInChI=1S/C16H30O.C7H14O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7(6-8)9-4-2/h13-16H,3-12H2,1-2H3;3,7-8H,1,4-6H2,2H3
InChIKeyHBXWNLSYQILFMG-UHFFFAOYSA-N
MW368.60 g/mol
LogP6.93
Rot. Bonds17

About 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene

2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene (PubChem CID 174933890) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene.

Molecular Properties

Compound Name2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene
PubChem CID174933890
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene
SMILESC=CCC(CO)OCC.CCCCCCC=COC=CCCCCCC
InChIInChI=1S/C16H30O.C7H14O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7(6-8)9-4-2/h13-16H,3-12H2,1-2H3;3,7-8H,1,4-6H2,2H3
InChIKeyHBXWNLSYQILFMG-UHFFFAOYSA-N
XLogP6.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
2-[(Z)-octadec-9-enoxy]propane-1,3-diol;hydrate
CID 88725993
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
(E)-1-prop-2-enoxyundec-1-ene
CID 71775346
1-prop-2-enoxydec-1-ene
CID 156690468
1-hydroperoxyundec-1-ene
CID 140553152
2-ethoxy-3-hexadecylsulfanylpropan-1-ol
CID 14282492
3-butoxyhex-5-en-1-ol
CID 90780016
4-(methoxymethoxy)non-1-ene
CID 14592865
[(Z)-dec-1-enyl] formate
CID 10954216
(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol
CID 15709561

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene?
The IUPAC name of 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene (CID 174933890) is 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene.
What is the SMILES notation for 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene?
The canonical SMILES for 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene is C=CCC(CO)OCC.CCCCCCC=COC=CCCCCCC.
What is the InChIKey of 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene?
The InChIKey is HBXWNLSYQILFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O.C7H14O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7(6-8)9-4-2/h13-16H,3-12H2,1-2H3;3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene?
2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene has a molecular weight of 368.60 g/mol, XLogP of 6.93, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypent-4-en-1-ol;1-oct-1-enoxyoct-1-ene is sourced from PubChem (CID 174933890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).