(3Z)-11-methyl-1-oxacycloundec-3-en-2-one

C11H18O2 — CID 12892298

IUPAC(3Z)-11-methyl-1-oxacycloundec-3-en-2-one
SMILESCC1CCCCCC/C=C\C(=O)O1
InChIInChI=1S/C11H18O2/c1-10-8-6-4-2-3-5-7-9-11(12)13-10/h7,9-10H,2-6,8H2,1H3/b9-7-
InChIKeyPYVWXYSTRMCJMH-CLFYSBASSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds

About (3Z)-11-methyl-1-oxacycloundec-3-en-2-one

(3Z)-11-methyl-1-oxacycloundec-3-en-2-one (PubChem CID 12892298) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3Z)-11-methyl-1-oxacycloundec-3-en-2-one.

Molecular Properties

Compound Name(3Z)-11-methyl-1-oxacycloundec-3-en-2-one
PubChem CID12892298
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3Z)-11-methyl-1-oxacycloundec-3-en-2-one
SMILESCC1CCCCCC/C=C\C(=O)O1
InChIInChI=1S/C11H18O2/c1-10-8-6-4-2-3-5-7-9-11(12)13-10/h7,9-10H,2-6,8H2,1H3/b9-7-
InChIKeyPYVWXYSTRMCJMH-CLFYSBASSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-11-methyl-1-oxacycloundec-3-en-2-one?
The IUPAC name of (3Z)-11-methyl-1-oxacycloundec-3-en-2-one (CID 12892298) is (3Z)-11-methyl-1-oxacycloundec-3-en-2-one.
What is the SMILES notation for (3Z)-11-methyl-1-oxacycloundec-3-en-2-one?
The canonical SMILES for (3Z)-11-methyl-1-oxacycloundec-3-en-2-one is CC1CCCCCC/C=C\C(=O)O1.
What is the InChIKey of (3Z)-11-methyl-1-oxacycloundec-3-en-2-one?
The InChIKey is PYVWXYSTRMCJMH-CLFYSBASSA-N. The full InChI is InChI=1S/C11H18O2/c1-10-8-6-4-2-3-5-7-9-11(12)13-10/h7,9-10H,2-6,8H2,1H3/b9-7-.
What are the key properties of (3Z)-11-methyl-1-oxacycloundec-3-en-2-one?
(3Z)-11-methyl-1-oxacycloundec-3-en-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-11-methyl-1-oxacycloundec-3-en-2-one is sourced from PubChem (CID 12892298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).