(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid

C11H21O4P — CID 15735603

IUPAC(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid
SMILESCC(C)/C=C(\CP(=O)(O)CC(C)C)C(=O)O
InChIInChI=1S/C11H21O4P/c1-8(2)5-10(11(12)13)7-16(14,15)6-9(3)4/h5,8-9H,6-7H2,1-4H3,(H,12,13)(H,14,15)/b10-5+
InChIKeyUSULIVUQHPCJGI-BJMVGYQFSA-N
MW248.26 g/mol
LogP2.58
Rot. Bonds6

About (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid

(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid (PubChem CID 15735603) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid
PubChem CID15735603
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid
SMILESCC(C)/C=C(\CP(=O)(O)CC(C)C)C(=O)O
InChIInChI=1S/C11H21O4P/c1-8(2)5-10(11(12)13)7-16(14,15)6-9(3)4/h5,8-9H,6-7H2,1-4H3,(H,12,13)(H,14,15)/b10-5+
InChIKeyUSULIVUQHPCJGI-BJMVGYQFSA-N
XLogP2.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.58
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

(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)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]but-2-enoic acid
CID 15735596
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]oct-2-enoic acid
CID 15735597
(E)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]oct-2-enoic acid
CID 15735598
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4,4-dimethylpent-2-enoic acid
CID 15735601

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid?
The IUPAC name of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid (CID 15735603) is (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid.
What is the SMILES notation for (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid?
The canonical SMILES for (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid is CC(C)/C=C(\CP(=O)(O)CC(C)C)C(=O)O.
What is the InChIKey of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid?
The InChIKey is USULIVUQHPCJGI-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H21O4P/c1-8(2)5-10(11(12)13)7-16(14,15)6-9(3)4/h5,8-9H,6-7H2,1-4H3,(H,12,13)(H,14,15)/b10-5+.
What are the key properties of (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid?
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid has a molecular weight of 248.26 g/mol, XLogP of 2.58, 6 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]-4-methylpent-2-enoic acid is sourced from PubChem (CID 15735603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).