(4R,6S)-6-but-2-enyl-4-methyloxan-2-one

C10H16O2 — CID 91242155

IUPAC(4R,6S)-6-but-2-enyl-4-methyloxan-2-one
SMILESCC=CC[C@@H]1C[C@@H](C)CC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-4-5-9-6-8(2)7-10(11)12-9/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyJLBBGWBZUVHRTD-RKDXNWHRSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About (4R,6S)-6-but-2-enyl-4-methyloxan-2-one

(4R,6S)-6-but-2-enyl-4-methyloxan-2-one (PubChem CID 91242155) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R,6S)-6-but-2-enyl-4-methyloxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-but-2-enyl-4-methyloxan-2-one
PubChem CID91242155
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R,6S)-6-but-2-enyl-4-methyloxan-2-one
SMILESCC=CC[C@@H]1C[C@@H](C)CC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-4-5-9-6-8(2)7-10(11)12-9/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyJLBBGWBZUVHRTD-RKDXNWHRSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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8-Decen-5-olide
CID 6438319
Cnidilide
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Oxacyclopentadec-10-en-2-one, 13-methyl-
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CID 78122470
9-Tetradecen-5-olide
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CID 112639
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CID 557150
2-Cyclopentene-1-acetic acid, 1-methylheptyl ester
CID 175576

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-but-2-enyl-4-methyloxan-2-one?
The IUPAC name of (4R,6S)-6-but-2-enyl-4-methyloxan-2-one (CID 91242155) is (4R,6S)-6-but-2-enyl-4-methyloxan-2-one.
What is the SMILES notation for (4R,6S)-6-but-2-enyl-4-methyloxan-2-one?
The canonical SMILES for (4R,6S)-6-but-2-enyl-4-methyloxan-2-one is CC=CC[C@@H]1C[C@@H](C)CC(=O)O1.
What is the InChIKey of (4R,6S)-6-but-2-enyl-4-methyloxan-2-one?
The InChIKey is JLBBGWBZUVHRTD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-9-6-8(2)7-10(11)12-9/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (4R,6S)-6-but-2-enyl-4-methyloxan-2-one?
(4R,6S)-6-but-2-enyl-4-methyloxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-but-2-enyl-4-methyloxan-2-one is sourced from PubChem (CID 91242155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).