(4S)-4-(4-methylpent-3-enyl)oxolan-2-one

C10H16O2 — CID 12030665

IUPAC(4S)-4-(4-methylpent-3-enyl)oxolan-2-one
SMILESCC(C)=CCC[C@@H]1COC(=O)C1
InChIInChI=1S/C10H16O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,9H,3,5-7H2,1-2H3/t9-/m0/s1
InChIKeyZIQZDGDHWVRXKV-VIFPVBQESA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About (4S)-4-(4-methylpent-3-enyl)oxolan-2-one

(4S)-4-(4-methylpent-3-enyl)oxolan-2-one (PubChem CID 12030665) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4S)-4-(4-methylpent-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-(4-methylpent-3-enyl)oxolan-2-one
PubChem CID12030665
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4S)-4-(4-methylpent-3-enyl)oxolan-2-one
SMILESCC(C)=CCC[C@@H]1COC(=O)C1
InChIInChI=1S/C10H16O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,9H,3,5-7H2,1-2H3/t9-/m0/s1
InChIKeyZIQZDGDHWVRXKV-VIFPVBQESA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
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 (4S)-4-(4-methylpent-3-enyl)oxolan-2-one?
The IUPAC name of (4S)-4-(4-methylpent-3-enyl)oxolan-2-one (CID 12030665) is (4S)-4-(4-methylpent-3-enyl)oxolan-2-one.
What is the SMILES notation for (4S)-4-(4-methylpent-3-enyl)oxolan-2-one?
The canonical SMILES for (4S)-4-(4-methylpent-3-enyl)oxolan-2-one is CC(C)=CCC[C@@H]1COC(=O)C1.
What is the InChIKey of (4S)-4-(4-methylpent-3-enyl)oxolan-2-one?
The InChIKey is ZIQZDGDHWVRXKV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,9H,3,5-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-4-(4-methylpent-3-enyl)oxolan-2-one?
(4S)-4-(4-methylpent-3-enyl)oxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methylpent-3-enyl)oxolan-2-one is sourced from PubChem (CID 12030665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).