(E)-5-methoxy-6-methyldec-3-en-1-ol

C12H24O2 — CID 87272589

IUPAC(E)-5-methoxy-6-methyldec-3-en-1-ol
SMILESCCCCC(C)C(/C=C/CCO)OC
InChIInChI=1S/C12H24O2/c1-4-5-8-11(2)12(14-3)9-6-7-10-13/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+
InChIKeyKCTJNYYVXJZBLQ-RMKNXTFCSA-N
MW200.32 g/mol
LogP2.77
Rot. Bonds8

About (E)-5-methoxy-6-methyldec-3-en-1-ol

(E)-5-methoxy-6-methyldec-3-en-1-ol (PubChem CID 87272589) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-5-methoxy-6-methyldec-3-en-1-ol.

Molecular Properties

Compound Name(E)-5-methoxy-6-methyldec-3-en-1-ol
PubChem CID87272589
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-5-methoxy-6-methyldec-3-en-1-ol
SMILESCCCCC(C)C(/C=C/CCO)OC
InChIInChI=1S/C12H24O2/c1-4-5-8-11(2)12(14-3)9-6-7-10-13/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+
InChIKeyKCTJNYYVXJZBLQ-RMKNXTFCSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.77
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 (E)-5-methoxy-6-methyldec-3-en-1-ol?
The IUPAC name of (E)-5-methoxy-6-methyldec-3-en-1-ol (CID 87272589) is (E)-5-methoxy-6-methyldec-3-en-1-ol.
What is the SMILES notation for (E)-5-methoxy-6-methyldec-3-en-1-ol?
The canonical SMILES for (E)-5-methoxy-6-methyldec-3-en-1-ol is CCCCC(C)C(/C=C/CCO)OC.
What is the InChIKey of (E)-5-methoxy-6-methyldec-3-en-1-ol?
The InChIKey is KCTJNYYVXJZBLQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-5-8-11(2)12(14-3)9-6-7-10-13/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+.
What are the key properties of (E)-5-methoxy-6-methyldec-3-en-1-ol?
(E)-5-methoxy-6-methyldec-3-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-6-methyldec-3-en-1-ol is sourced from PubChem (CID 87272589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).