(Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid

C14H23O4P — CID 15735579

IUPAC(Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid
SMILESO=C(O)/C(=C/C1CC1)CP(=O)(O)CC1CCCCC1
InChIInChI=1S/C14H23O4P/c15-14(16)13(8-11-6-7-11)10-19(17,18)9-12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,15,16)(H,17,18)/b13-8+
InChIKeyZIEJORBAMJBQBQ-MDWZMJQESA-N
MW286.31 g/mol
LogP3.26
Rot. Bonds6

About (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid

(Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid (PubChem CID 15735579) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid
PubChem CID15735579
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name(Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid
SMILESO=C(O)/C(=C/C1CC1)CP(=O)(O)CC1CCCCC1
InChIInChI=1S/C14H23O4P/c15-14(16)13(8-11-6-7-11)10-19(17,18)9-12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,15,16)(H,17,18)/b13-8+
InChIKeyZIEJORBAMJBQBQ-MDWZMJQESA-N
XLogP3.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid?
The IUPAC name of (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid (CID 15735579) is (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid?
The canonical SMILES for (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid is O=C(O)/C(=C/C1CC1)CP(=O)(O)CC1CCCCC1.
What is the InChIKey of (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid?
The InChIKey is ZIEJORBAMJBQBQ-MDWZMJQESA-N. The full InChI is InChI=1S/C14H23O4P/c15-14(16)13(8-11-6-7-11)10-19(17,18)9-12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,15,16)(H,17,18)/b13-8+.
What are the key properties of (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid?
(Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid has a molecular weight of 286.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid is sourced from PubChem (CID 15735579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).