acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol

C14H24O2 — CID 143642417

IUPACacetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol
SMILESC#C.C/C=C\C(=C/C)COCC(O)CCC
InChIInChI=1S/C12H22O2.C2H2/c1-4-7-11(6-3)9-14-10-12(13)8-5-2;1-2/h4,6-7,12-13H,5,8-10H2,1-3H3;1-2H/b7-4-,11-6+;
InChIKeyJXAFKAQUQQEGBQ-YKLNXYNISA-N
MW224.34 g/mol
LogP2.94
Rot. Bonds7

About acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol

acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol (PubChem CID 143642417) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol.

Molecular Properties

Compound Nameacetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol
PubChem CID143642417
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameacetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol
SMILESC#C.C/C=C\C(=C/C)COCC(O)CCC
InChIInChI=1S/C12H22O2.C2H2/c1-4-7-11(6-3)9-14-10-12(13)8-5-2;1-2/h4,6-7,12-13H,5,8-10H2,1-3H3;1-2H/b7-4-,11-6+;
InChIKeyJXAFKAQUQQEGBQ-YKLNXYNISA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethoxypentan-2-ol
CID 21201051
(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene
CID 145079816
(2E,4Z)-3-(hydroperoxymethyl)hexa-2,4-diene
CID 89084201
(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864
1-O-(2-ethoxyethyl) 4-O-(2-hydroxypentyl) (E)-but-2-enedioate
CID 141044787
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
bis(2-hydroxypentyl) 2,3-dihydroxybutanedioate
CID 123287429
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
non-2-ene-4,6-diol
CID 91115138
4-(2-butoxyethoxy)butane-1,3-diol
CID 174811578
1-hydroxy-3-(2-hydroxy-3-propoxypropoxy)propan-2-one
CID 123606617
hexan-3-ol
CID 12178

Frequently Asked Questions

What is the IUPAC name of acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol?
The IUPAC name of acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol (CID 143642417) is acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol.
What is the SMILES notation for acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol?
The canonical SMILES for acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol is C#C.C/C=C\C(=C/C)COCC(O)CCC.
What is the InChIKey of acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol?
The InChIKey is JXAFKAQUQQEGBQ-YKLNXYNISA-N. The full InChI is InChI=1S/C12H22O2.C2H2/c1-4-7-11(6-3)9-14-10-12(13)8-5-2;1-2/h4,6-7,12-13H,5,8-10H2,1-3H3;1-2H/b7-4-,11-6+;.
What are the key properties of acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol?
acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol has a molecular weight of 224.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol is sourced from PubChem (CID 143642417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).