propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate

C10H18O3 — CID 23256461

IUPACpropan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate
SMILESC/C=C\[C@H](C)[C@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O3/c1-5-6-8(4)9(11)10(12)13-7(2)3/h5-9,11H,1-4H3/b6-5-/t8-,9-/m0/s1
InChIKeyIYMLXZJVRPUNBU-CHVDZCGESA-N
MW186.25 g/mol
LogP1.51
Rot. Bonds4

About propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate

propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate (PubChem CID 23256461) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate.

Molecular Properties

Compound Namepropan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate
PubChem CID23256461
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namepropan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate
SMILESC/C=C\[C@H](C)[C@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O3/c1-5-6-8(4)9(11)10(12)13-7(2)3/h5-9,11H,1-4H3/b6-5-/t8-,9-/m0/s1
InChIKeyIYMLXZJVRPUNBU-CHVDZCGESA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
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dipropan-2-yl 2-[(E)-but-2-enyl]propanedioate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate?
The IUPAC name of propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate (CID 23256461) is propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate.
What is the SMILES notation for propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate?
The canonical SMILES for propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate is C/C=C\[C@H](C)[C@H](O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate?
The InChIKey is IYMLXZJVRPUNBU-CHVDZCGESA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-8(4)9(11)10(12)13-7(2)3/h5-9,11H,1-4H3/b6-5-/t8-,9-/m0/s1.
What are the key properties of propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate?
propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate is sourced from PubChem (CID 23256461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).