5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one

C11H18O2 — CID 11332852

IUPAC5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
SMILESCC/C=C\CCC1(C)CCC(=O)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyNIKDJTTZUYNCMM-PLNGDYQASA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds4

About 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one

5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one (PubChem CID 11332852) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
PubChem CID11332852
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
SMILESCC/C=C\CCC1(C)CCC(=O)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyNIKDJTTZUYNCMM-PLNGDYQASA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one?
The IUPAC name of 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one (CID 11332852) is 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one.
What is the SMILES notation for 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one?
The canonical SMILES for 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one is CC/C=C\CCC1(C)CCC(=O)O1.
What is the InChIKey of 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one?
The InChIKey is NIKDJTTZUYNCMM-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4-.
What are the key properties of 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one?
5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one is sourced from PubChem (CID 11332852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).