(E)-7-methoxy-2-methylhept-6-en-3-ol

C9H18O2 — CID 134894989

IUPAC(E)-7-methoxy-2-methylhept-6-en-3-ol
SMILESCO/C=C/CCC(O)C(C)C
InChIInChI=1S/C9H18O2/c1-8(2)9(10)6-4-5-7-11-3/h5,7-10H,4,6H2,1-3H3/b7-5+
InChIKeyLFJDOXSOXCEPGZ-FNORWQNLSA-N
MW158.24 g/mol
LogP1.94
Rot. Bonds5

About (E)-7-methoxy-2-methylhept-6-en-3-ol

(E)-7-methoxy-2-methylhept-6-en-3-ol (PubChem CID 134894989) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (E)-7-methoxy-2-methylhept-6-en-3-ol.

Molecular Properties

Compound Name(E)-7-methoxy-2-methylhept-6-en-3-ol
PubChem CID134894989
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(E)-7-methoxy-2-methylhept-6-en-3-ol
SMILESCO/C=C/CCC(O)C(C)C
InChIInChI=1S/C9H18O2/c1-8(2)9(10)6-4-5-7-11-3/h5,7-10H,4,6H2,1-3H3/b7-5+
InChIKeyLFJDOXSOXCEPGZ-FNORWQNLSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxy-2-methylhept-6-en-3-ol?
The IUPAC name of (E)-7-methoxy-2-methylhept-6-en-3-ol (CID 134894989) is (E)-7-methoxy-2-methylhept-6-en-3-ol.
What is the SMILES notation for (E)-7-methoxy-2-methylhept-6-en-3-ol?
The canonical SMILES for (E)-7-methoxy-2-methylhept-6-en-3-ol is CO/C=C/CCC(O)C(C)C.
What is the InChIKey of (E)-7-methoxy-2-methylhept-6-en-3-ol?
The InChIKey is LFJDOXSOXCEPGZ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)9(10)6-4-5-7-11-3/h5,7-10H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-7-methoxy-2-methylhept-6-en-3-ol?
(E)-7-methoxy-2-methylhept-6-en-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxy-2-methylhept-6-en-3-ol is sourced from PubChem (CID 134894989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).