[(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate

C11H20O3 — CID 56936020

IUPAC[(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate
SMILESCC/C=C\CCOC(=O)[C@H](O)C(C)C
InChIInChI=1S/C11H20O3/c1-4-5-6-7-8-14-11(13)10(12)9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5-/t10-/m1/s1
InChIKeyDGPCWWZIQGEZER-WWQCOOJYSA-N
MW200.28 g/mol
LogP1.90
Rot. Bonds6

About [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate

[(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate (PubChem CID 56936020) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate
PubChem CID56936020
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate
SMILESCC/C=C\CCOC(=O)[C@H](O)C(C)C
InChIInChI=1S/C11H20O3/c1-4-5-6-7-8-14-11(13)10(12)9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5-/t10-/m1/s1
InChIKeyDGPCWWZIQGEZER-WWQCOOJYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hexenyl lactate, (3Z)-
CID 5364231
[(Z)-oct-5-enyl] 2-hydroxybutanoate
CID 71455451
[(E)-oct-3-enyl] 2-hydroxybutanoate
CID 71460897
[(E)-oct-5-enyl] 2-hydroxybutanoate
CID 71460898
[(Z)-oct-3-enyl] 2-hydroxybutanoate
CID 71462591
[(E)-oct-4-enyl] 2-hydroxybutanoate
CID 71462592
[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate
CID 162658906
[(Z)-oct-4-enyl] 2-hydroxybutanoate
CID 71457233
(E)-2-hydroxynon-4-enoic acid
CID 19751846
1,6-diethyl (4R,5R,E)-5-hydroxy-4-methylhex-2-enedioate
CID 57333635
3-Methylbutyl 2-fluoro-2-hydroxypent-4-enoate
CID 174703814
Hex-3-en-1-yl 2-hydroxypropanoate
CID 62199

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate?
The IUPAC name of [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate (CID 56936020) is [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate?
The canonical SMILES for [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate is CC/C=C\CCOC(=O)[C@H](O)C(C)C.
What is the InChIKey of [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate?
The InChIKey is DGPCWWZIQGEZER-WWQCOOJYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-6-7-8-14-11(13)10(12)9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5-/t10-/m1/s1.
What are the key properties of [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate?
[(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 56936020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).