(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol

C12H22O2 — CID 5367947

IUPAC(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol
SMILESC/C=C/C(O)C(O)/C(=C/CCC)CC
InChIInChI=1S/C12H22O2/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h5,8-9,11-14H,4,6-7H2,1-3H3/b8-5+,10-9+
InChIKeyRWSQJPCFDCSSBT-CPSCNVPRSA-N
MW198.31 g/mol
LogP2.42
Rot. Bonds6

About (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol

(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol (PubChem CID 5367947) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol.

Molecular Properties

Compound Name(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol
PubChem CID5367947
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol
SMILESC/C=C/C(O)C(O)/C(=C/CCC)CC
InChIInChI=1S/C12H22O2/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h5,8-9,11-14H,4,6-7H2,1-3H3/b8-5+,10-9+
InChIKeyRWSQJPCFDCSSBT-CPSCNVPRSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2Z)-2-butylidenepentane-1,4-diol
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4-butan-2-yl-2,3-dimethyloct-4-ene
CID 123920720
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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol?
The IUPAC name of (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol (CID 5367947) is (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol.
What is the SMILES notation for (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol?
The canonical SMILES for (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol is C/C=C/C(O)C(O)/C(=C/CCC)CC.
What is the InChIKey of (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol?
The InChIKey is RWSQJPCFDCSSBT-CPSCNVPRSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h5,8-9,11-14H,4,6-7H2,1-3H3/b8-5+,10-9+.
What are the key properties of (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol?
(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol has a molecular weight of 198.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-6-ethyldeca-2,6-diene-4,5-diol is sourced from PubChem (CID 5367947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).