(Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol

C12H18O — CID 122600345

IUPAC(Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol
SMILESC/C=C(C#CCCCO)\C=C/CC
InChIInChI=1S/C12H18O/c1-3-5-9-12(4-2)10-7-6-8-11-13/h4-5,9,13H,3,6,8,11H2,1-2H3/b9-5-,12-4+
InChIKeyTWWDFXZZIJGJRA-WQPWRAGBSA-N
MW178.27 g/mol
LogP2.67
Rot. Bonds4

About (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol

(Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol (PubChem CID 122600345) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol
PubChem CID122600345
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol
SMILESC/C=C(C#CCCCO)\C=C/CC
InChIInChI=1S/C12H18O/c1-3-5-9-12(4-2)10-7-6-8-11-13/h4-5,9,13H,3,6,8,11H2,1-2H3/b9-5-,12-4+
InChIKeyTWWDFXZZIJGJRA-WQPWRAGBSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol
CID 131752390
Cicutol
CID 5315864
Tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 71353587
Heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 163795
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol
CID 14412218
(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
CID 14443153
(5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-1-ol
CID 15081404
Tetradeca-4,6,12-triene-8,10-diyn-1-ol
CID 71354562
Pentadeca-5,7-dien-9,11,13-triyn-1-ol
CID 85626703
Trideca-3,5-dien-7,9,11-triyn-1-ol
CID 85770432
Pentadeca-5,7,13-trien-9,11-diyn-1-ol
CID 85927504

Frequently Asked Questions

What is the IUPAC name of (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol?
The IUPAC name of (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol (CID 122600345) is (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol.
What is the SMILES notation for (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol?
The canonical SMILES for (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol is C/C=C(C#CCCCO)\C=C/CC.
What is the InChIKey of (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol?
The InChIKey is TWWDFXZZIJGJRA-WQPWRAGBSA-N. The full InChI is InChI=1S/C12H18O/c1-3-5-9-12(4-2)10-7-6-8-11-13/h4-5,9,13H,3,6,8,11H2,1-2H3/b9-5-,12-4+.
What are the key properties of (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol?
(Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol has a molecular weight of 178.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol is sourced from PubChem (CID 122600345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).