(Z)-9,9-dimethoxynon-3-en-1-ol

C11H22O3 — CID 163205835

IUPAC(Z)-9,9-dimethoxynon-3-en-1-ol
SMILESCOC(CCCC/C=C\CCO)OC
InChIInChI=1S/C11H22O3/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h4,6,11-12H,3,5,7-10H2,1-2H3/b6-4-
InChIKeyFEDSXBOCHRXMIH-XQRVVYSFSA-N
MW202.29 g/mol
LogP2.10
Rot. Bonds9

About (Z)-9,9-dimethoxynon-3-en-1-ol

(Z)-9,9-dimethoxynon-3-en-1-ol (PubChem CID 163205835) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (Z)-9,9-dimethoxynon-3-en-1-ol.

Molecular Properties

Compound Name(Z)-9,9-dimethoxynon-3-en-1-ol
PubChem CID163205835
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(Z)-9,9-dimethoxynon-3-en-1-ol
SMILESCOC(CCCC/C=C\CCO)OC
InChIInChI=1S/C11H22O3/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h4,6,11-12H,3,5,7-10H2,1-2H3/b6-4-
InChIKeyFEDSXBOCHRXMIH-XQRVVYSFSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-9,9-dimethoxynon-3-en-1-ol?
The IUPAC name of (Z)-9,9-dimethoxynon-3-en-1-ol (CID 163205835) is (Z)-9,9-dimethoxynon-3-en-1-ol.
What is the SMILES notation for (Z)-9,9-dimethoxynon-3-en-1-ol?
The canonical SMILES for (Z)-9,9-dimethoxynon-3-en-1-ol is COC(CCCC/C=C\CCO)OC.
What is the InChIKey of (Z)-9,9-dimethoxynon-3-en-1-ol?
The InChIKey is FEDSXBOCHRXMIH-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H22O3/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h4,6,11-12H,3,5,7-10H2,1-2H3/b6-4-.
What are the key properties of (Z)-9,9-dimethoxynon-3-en-1-ol?
(Z)-9,9-dimethoxynon-3-en-1-ol has a molecular weight of 202.29 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9,9-dimethoxynon-3-en-1-ol is sourced from PubChem (CID 163205835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).