(1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate

C10H17O3P — CID 71028120

IUPAC(1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate
SMILESC/C(O)=C/C(=O)OC1(P)CCCCC1
InChIInChI=1S/C10H17O3P/c1-8(11)7-9(12)13-10(14)5-3-2-4-6-10/h7,11H,2-6,14H2,1H3/b8-7-
InChIKeyJOLMUHORUBFTKX-FPLPWBNLSA-N
MW216.22 g/mol
LogP2.53
Rot. Bonds2

About (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate

(1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate (PubChem CID 71028120) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate.

Molecular Properties

Compound Name(1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate
PubChem CID71028120
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Name(1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate
SMILESC/C(O)=C/C(=O)OC1(P)CCCCC1
InChIInChI=1S/C10H17O3P/c1-8(11)7-9(12)13-10(14)5-3-2-4-6-10/h7,11H,2-6,14H2,1H3/b8-7-
InChIKeyJOLMUHORUBFTKX-FPLPWBNLSA-N
XLogP2.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl (Z)-3-hydroxybut-2-enoate
CID 54717694

Frequently Asked Questions

What is the IUPAC name of (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate?
The IUPAC name of (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate (CID 71028120) is (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate.
What is the SMILES notation for (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate?
The canonical SMILES for (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate is C/C(O)=C/C(=O)OC1(P)CCCCC1.
What is the InChIKey of (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate?
The InChIKey is JOLMUHORUBFTKX-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17O3P/c1-8(11)7-9(12)13-10(14)5-3-2-4-6-10/h7,11H,2-6,14H2,1H3/b8-7-.
What are the key properties of (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate?
(1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate has a molecular weight of 216.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphanylcyclohexyl) (Z)-3-hydroxybut-2-enoate is sourced from PubChem (CID 71028120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).