(5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one

C10H16O2 — CID 11030231

IUPAC(5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one
SMILESC=C[C@H](C)[C@@H]1OC(=O)CC[C@H]1C
InChIInChI=1S/C10H16O2/c1-4-7(2)10-8(3)5-6-9(11)12-10/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8+,10-/m0/s1
InChIKeyRPHDIDOXNQLBLW-XKSSXDPKSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one

(5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one (PubChem CID 11030231) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one.

Molecular Properties

Compound Name(5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one
PubChem CID11030231
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one
SMILESC=C[C@H](C)[C@@H]1OC(=O)CC[C@H]1C
InChIInChI=1S/C10H16O2/c1-4-7(2)10-8(3)5-6-9(11)12-10/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8+,10-/m0/s1
InChIKeyRPHDIDOXNQLBLW-XKSSXDPKSA-N
XLogP2.15
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 ≤ 52.15
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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CID 46910864
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
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3-ethyl-6-vinyltetrahydro-2H-pyran-2-one
CID 163360649
2-[(2R,4S)-2-[(E,2R)-4-iodobut-3-en-2-yl]-6-oxooxan-4-yl]acetaldehyde
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3-Allyl-6-butyltetrahydro-pyrane-2,4-dione
CID 11344852

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one?
The IUPAC name of (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one (CID 11030231) is (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one.
What is the SMILES notation for (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one?
The canonical SMILES for (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one is C=C[C@H](C)[C@@H]1OC(=O)CC[C@H]1C.
What is the InChIKey of (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one?
The InChIKey is RPHDIDOXNQLBLW-XKSSXDPKSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7(2)10-8(3)5-6-9(11)12-10/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8+,10-/m0/s1.
What are the key properties of (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one?
(5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-one is sourced from PubChem (CID 11030231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).