(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol

C12H14O2 — CID 102249532

IUPAC(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol
SMILESCC(O)/C=C/C#CC#C/C=C/C(C)O
InChIInChI=1S/C12H14O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h7-14H,1-2H3/b9-7+,10-8+
InChIKeyNDJZQUVUFMBSIE-FIFLTTCUSA-N
MW190.24 g/mol
LogP0.87
Rot. Bonds2

About (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol

(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol (PubChem CID 102249532) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol.

Molecular Properties

Compound Name(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol
PubChem CID102249532
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol
SMILESCC(O)/C=C/C#CC#C/C=C/C(C)O
InChIInChI=1S/C12H14O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h7-14H,1-2H3/b9-7+,10-8+
InChIKeyNDJZQUVUFMBSIE-FIFLTTCUSA-N
XLogP0.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 24740611
(E)-7-[(1R,2R)-2-ethylcyclopropyl]hept-3-en-5-yn-2-ol
CID 59055489
(3S,4S)-trideca-5,11-dien-7,9-diyne-3,4-diol
CID 163034432
(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol
CID 131751511
(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
(E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol
CID 58584097
(2R)-4-iodobut-3-en-2-ol
CID 57050704
tetradec-6-en-8,10,12-triyne-1,5-diol
CID 162890629
1-[(2-methylpropan-2-yl)oxy]tridec-3-en-5,7,9,11-tetrayn-2-ol
CID 162898866
[(2R,3E,11E)-1-hydroxytrideca-3,11-dien-5,7,9-triyn-2-yl] 2-methylpropanoate
CID 162944363
(Z)-4-hydroxypent-2-enal
CID 89185005

Frequently Asked Questions

What is the IUPAC name of (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol?
The IUPAC name of (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol (CID 102249532) is (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol.
What is the SMILES notation for (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol?
The canonical SMILES for (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol is CC(O)/C=C/C#CC#C/C=C/C(C)O.
What is the InChIKey of (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol?
The InChIKey is NDJZQUVUFMBSIE-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H14O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h7-14H,1-2H3/b9-7+,10-8+.
What are the key properties of (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol?
(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol has a molecular weight of 190.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol is sourced from PubChem (CID 102249532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).