1-[(E)-dec-1-enoxy]ethanol

C12H24O2 — CID 19982776

IUPAC1-[(E)-dec-1-enoxy]ethanol
SMILESCCCCCCCC/C=C/OC(C)O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h10-13H,3-9H2,1-2H3/b11-10+
InChIKeyXPFSCPWGVQXPPV-ZHACJKMWSA-N
MW200.32 g/mol
LogP3.61
Rot. Bonds9

About 1-[(E)-dec-1-enoxy]ethanol

1-[(E)-dec-1-enoxy]ethanol (PubChem CID 19982776) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[(E)-dec-1-enoxy]ethanol.

Molecular Properties

Compound Name1-[(E)-dec-1-enoxy]ethanol
PubChem CID19982776
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-[(E)-dec-1-enoxy]ethanol
SMILESCCCCCCCC/C=C/OC(C)O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h10-13H,3-9H2,1-2H3/b11-10+
InChIKeyXPFSCPWGVQXPPV-ZHACJKMWSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-oct-1-enoxypropan-1-ol
CID 166065599
(Z)-1-octadec-1-enoxyoctadec-9-en-1-ol
CID 173127737
1-hydroperoxyundec-1-ene
CID 140553152
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
undec-3-en-2-ol
CID 174515693
1-(1-ethenoxypropoxy)dec-1-ene
CID 74010568
(E)-1-methoxyoct-1-ene
CID 10964624
(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxytridec-1-ene
CID 87204968

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-dec-1-enoxy]ethanol?
The IUPAC name of 1-[(E)-dec-1-enoxy]ethanol (CID 19982776) is 1-[(E)-dec-1-enoxy]ethanol.
What is the SMILES notation for 1-[(E)-dec-1-enoxy]ethanol?
The canonical SMILES for 1-[(E)-dec-1-enoxy]ethanol is CCCCCCCC/C=C/OC(C)O.
What is the InChIKey of 1-[(E)-dec-1-enoxy]ethanol?
The InChIKey is XPFSCPWGVQXPPV-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h10-13H,3-9H2,1-2H3/b11-10+.
What are the key properties of 1-[(E)-dec-1-enoxy]ethanol?
1-[(E)-dec-1-enoxy]ethanol has a molecular weight of 200.32 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-dec-1-enoxy]ethanol is sourced from PubChem (CID 19982776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).