(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol

C13H26O2 — CID 22749793

IUPAC(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol
SMILESCCC(C)(CCCC/C(C)=C/CO)OC
InChIInChI=1S/C13H26O2/c1-5-13(3,15-4)10-7-6-8-12(2)9-11-14/h9,14H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyJANHQDTWPOKFPK-FMIVXFBMSA-N
MW214.35 g/mol
LogP3.30
Rot. Bonds8

About (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol

(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol (PubChem CID 22749793) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol.

Molecular Properties

Compound Name(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol
PubChem CID22749793
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol
SMILESCCC(C)(CCCC/C(C)=C/CO)OC
InChIInChI=1S/C13H26O2/c1-5-13(3,15-4)10-7-6-8-12(2)9-11-14/h9,14H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyJANHQDTWPOKFPK-FMIVXFBMSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol?
The IUPAC name of (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol (CID 22749793) is (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol.
What is the SMILES notation for (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol?
The canonical SMILES for (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol is CCC(C)(CCCC/C(C)=C/CO)OC.
What is the InChIKey of (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol?
The InChIKey is JANHQDTWPOKFPK-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-13(3,15-4)10-7-6-8-12(2)9-11-14/h9,14H,5-8,10-11H2,1-4H3/b12-9+.
What are the key properties of (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol?
(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methoxy-3,8-dimethyldec-2-en-1-ol is sourced from PubChem (CID 22749793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).