methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate

C10H18O3 — CID 10012658

IUPACmethyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
SMILESC=C[C@H](O)[C@@H](CCCC)C(=O)OC
InChIInChI=1S/C10H18O3/c1-4-6-7-8(9(11)5-2)10(12)13-3/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+/m1/s1
InChIKeyUCKJFRKOTVXICQ-BDAKNGLRSA-N
MW186.25 g/mol
LogP1.51
Rot. Bonds6

About methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate

methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate (PubChem CID 10012658) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
PubChem CID10012658
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
SMILESC=C[C@H](O)[C@@H](CCCC)C(=O)OC
InChIInChI=1S/C10H18O3/c1-4-6-7-8(9(11)5-2)10(12)13-3/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+/m1/s1
InChIKeyUCKJFRKOTVXICQ-BDAKNGLRSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

methyl (2S)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
CID 10330067
ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate
CID 93481404
dimethyl 2-[(3R)-hept-1-en-3-yl]propanedioate
CID 14170343
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
methyl 2-ethenyloctanoate
CID 12739558
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
methyl 2-propan-2-yltetradecanoate
CID 118450856
methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl (2S)-2-aminohexanoate
CID 7018840
methyl 3-hydroxy-2-methylpent-4-enoate
CID 15936058
methyl (2S)-2-hydroxyheptanoate
CID 71444954
methyl 2-acetyl-3-ethenyloctanoate
CID 132536244

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate?
The IUPAC name of methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate (CID 10012658) is methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate.
What is the SMILES notation for methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate?
The canonical SMILES for methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate is C=C[C@H](O)[C@@H](CCCC)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate?
The InChIKey is UCKJFRKOTVXICQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-7-8(9(11)5-2)10(12)13-3/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+/m1/s1.
What are the key properties of methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate?
methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate has a molecular weight of 186.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate is sourced from PubChem (CID 10012658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).