6-ethyldeca-2,6-diene-4,5-diol

C12H22O2 — CID 559110

IUPAC6-ethyldeca-2,6-diene-4,5-diol
SMILESCC=CC(O)C(O)C(=CCCC)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
InChIKeyRWSQJPCFDCSSBT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.42
Rot. Bonds6

About 6-ethyldeca-2,6-diene-4,5-diol

6-ethyldeca-2,6-diene-4,5-diol (PubChem CID 559110) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-ethyldeca-2,6-diene-4,5-diol.

Molecular Properties

Compound Name6-ethyldeca-2,6-diene-4,5-diol
PubChem CID559110
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name6-ethyldeca-2,6-diene-4,5-diol
SMILESCC=CC(O)C(O)C(=CCCC)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
InChIKeyRWSQJPCFDCSSBT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 6-ethyldeca-2,6-diene-4,5-diol?
The IUPAC name of 6-ethyldeca-2,6-diene-4,5-diol (CID 559110) is 6-ethyldeca-2,6-diene-4,5-diol.
What is the SMILES notation for 6-ethyldeca-2,6-diene-4,5-diol?
The canonical SMILES for 6-ethyldeca-2,6-diene-4,5-diol is CC=CC(O)C(O)C(=CCCC)CC.
What is the InChIKey of 6-ethyldeca-2,6-diene-4,5-diol?
The InChIKey is RWSQJPCFDCSSBT-UHFFFAOYSA-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.
What are the key properties of 6-ethyldeca-2,6-diene-4,5-diol?
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 6-ethyldeca-2,6-diene-4,5-diol is sourced from PubChem (CID 559110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).