4-methoxy-2,4-dimethyloct-1-en-3-ol

C11H22O2 — CID 134993282

IUPAC4-methoxy-2,4-dimethyloct-1-en-3-ol
SMILESC=C(C)C(O)C(C)(CCCC)OC
InChIInChI=1S/C11H22O2/c1-6-7-8-11(4,13-5)10(12)9(2)3/h10,12H,2,6-8H2,1,3-5H3
InChIKeyRRPUYWZANRJIFU-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds6

About 4-methoxy-2,4-dimethyloct-1-en-3-ol

4-methoxy-2,4-dimethyloct-1-en-3-ol (PubChem CID 134993282) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyloct-1-en-3-ol.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyloct-1-en-3-ol
PubChem CID134993282
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methoxy-2,4-dimethyloct-1-en-3-ol
SMILESC=C(C)C(O)C(C)(CCCC)OC
InChIInChI=1S/C11H22O2/c1-6-7-8-11(4,13-5)10(12)9(2)3/h10,12H,2,6-8H2,1,3-5H3
InChIKeyRRPUYWZANRJIFU-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 4-methoxy-2,4-dimethyloct-1-en-3-ol?
The IUPAC name of 4-methoxy-2,4-dimethyloct-1-en-3-ol (CID 134993282) is 4-methoxy-2,4-dimethyloct-1-en-3-ol.
What is the SMILES notation for 4-methoxy-2,4-dimethyloct-1-en-3-ol?
The canonical SMILES for 4-methoxy-2,4-dimethyloct-1-en-3-ol is C=C(C)C(O)C(C)(CCCC)OC.
What is the InChIKey of 4-methoxy-2,4-dimethyloct-1-en-3-ol?
The InChIKey is RRPUYWZANRJIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-7-8-11(4,13-5)10(12)9(2)3/h10,12H,2,6-8H2,1,3-5H3.
What are the key properties of 4-methoxy-2,4-dimethyloct-1-en-3-ol?
4-methoxy-2,4-dimethyloct-1-en-3-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyloct-1-en-3-ol is sourced from PubChem (CID 134993282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).