(E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol

C11H22O2 — CID 88832180

IUPAC(E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol
SMILESCC(CC/C=C/O)CCOC(C)C
InChIInChI=1S/C11H22O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyXUEURXBIBFTGLH-VMPITWQZSA-N
MW186.30 g/mol
LogP3.29
Rot. Bonds7

About (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol

(E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol (PubChem CID 88832180) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol.

Molecular Properties

Compound Name(E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol
PubChem CID88832180
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Name(E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol
SMILESCC(CC/C=C/O)CCOC(C)C
InChIInChI=1S/C11H22O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyXUEURXBIBFTGLH-VMPITWQZSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.29
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)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol?
The IUPAC name of (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol (CID 88832180) is (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol.
What is the SMILES notation for (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol?
The canonical SMILES for (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol is CC(CC/C=C/O)CCOC(C)C.
What is the InChIKey of (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol?
The InChIKey is XUEURXBIBFTGLH-VMPITWQZSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2)13-9-7-11(3)6-4-5-8-12/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+.
What are the key properties of (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol?
(E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol has a molecular weight of 186.30 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-7-propan-2-yloxyhept-1-en-1-ol is sourced from PubChem (CID 88832180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).