(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid

C12H23O4P — CID 15735604

IUPAC(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid
SMILESCC(C)C/C=C(\CP(=O)(O)CC(C)C)C(=O)O
InChIInChI=1S/C12H23O4P/c1-9(2)5-6-11(12(13)14)8-17(15,16)7-10(3)4/h6,9-10H,5,7-8H2,1-4H3,(H,13,14)(H,15,16)/b11-6+
InChIKeyCQXOURQQYDSPJL-IZZDOVSWSA-N
MW262.29 g/mol
LogP2.97
Rot. Bonds7

About (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid

(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid (PubChem CID 15735604) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid
PubChem CID15735604
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid
SMILESCC(C)C/C=C(\CP(=O)(O)CC(C)C)C(=O)O
InChIInChI=1S/C12H23O4P/c1-9(2)5-6-11(12(13)14)8-17(15,16)7-10(3)4/h6,9-10H,5,7-8H2,1-4H3,(H,13,14)(H,15,16)/b11-6+
InChIKeyCQXOURQQYDSPJL-IZZDOVSWSA-N
XLogP2.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylhex-2-enoic acid;2-methylprop-2-enoic acid
CID 169984
(E)-3-cyclohexyl-2-(hydroxyisobutylphosphinoyl)methylpropenoic acid
CID 9795946
(Z)-3-cyclohexyl-2-[[ethyl(hydroxy)phosphoryl]methyl]prop-2-enoic acid
CID 15735532
(E)-3-cyclohexyl-2-[[ethyl(hydroxy)phosphoryl]methyl]prop-2-enoic acid
CID 15735534
(Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
CID 15735537
(E)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
CID 15735538
(Z)-3-cyclohexyl-2-(hydroxyisobutylphosphinoyl)methylpropenoic acid
CID 15735587
(Z)-3-cyclohexyl-2-[[hydroxy(propan-2-yl)phosphoryl]methyl]prop-2-enoic acid
CID 15735589
(E)-3-cyclohexyl-2-[[hydroxy(propan-2-yl)phosphoryl]methyl]prop-2-enoic acid
CID 15735590
(Z)-3-cyclohexyl-2-[[hexyl(hydroxy)phosphoryl]methyl]prop-2-enoic acid
CID 15735591
(E)-3-cyclohexyl-2-[[hexyl(hydroxy)phosphoryl]methyl]prop-2-enoic acid
CID 15735592
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]but-2-enoic acid
CID 15735596

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid?
The IUPAC name of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid (CID 15735604) is (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid.
What is the SMILES notation for (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid?
The canonical SMILES for (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid is CC(C)C/C=C(\CP(=O)(O)CC(C)C)C(=O)O.
What is the InChIKey of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid?
The InChIKey is CQXOURQQYDSPJL-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H23O4P/c1-9(2)5-6-11(12(13)14)8-17(15,16)7-10(3)4/h6,9-10H,5,7-8H2,1-4H3,(H,13,14)(H,15,16)/b11-6+.
What are the key properties of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid?
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid has a molecular weight of 262.29 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid is sourced from PubChem (CID 15735604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).