(Z)-3-cyclohexyl-2-iodoprop-2-enoic acid

C9H13IO2 — CID 87262445

IUPAC(Z)-3-cyclohexyl-2-iodoprop-2-enoic acid
SMILESO=C(O)/C(I)=C/C1CCCCC1
InChIInChI=1S/C9H13IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)/b8-6-
InChIKeyNYJZGONVSDEVBV-VURMDHGXSA-N
MW280.10 g/mol
LogP2.97
Rot. Bonds2

About (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid

(Z)-3-cyclohexyl-2-iodoprop-2-enoic acid (PubChem CID 87262445) has the molecular formula C9H13IO2 and a molecular weight of 280.10 g/mol. Its IUPAC name is (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclohexyl-2-iodoprop-2-enoic acid
PubChem CID87262445
Molecular FormulaC9H13IO2
Molecular Weight280.10 g/mol
Exact Mass280.00
IUPAC Name(Z)-3-cyclohexyl-2-iodoprop-2-enoic acid
SMILESO=C(O)/C(I)=C/C1CCCCC1
InChIInChI=1S/C9H13IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)/b8-6-
InChIKeyNYJZGONVSDEVBV-VURMDHGXSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid?
The IUPAC name of (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid (CID 87262445) is (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid?
The canonical SMILES for (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid is O=C(O)/C(I)=C/C1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid?
The InChIKey is NYJZGONVSDEVBV-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)/b8-6-.
What are the key properties of (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid?
(Z)-3-cyclohexyl-2-iodoprop-2-enoic acid has a molecular weight of 280.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexyl-2-iodoprop-2-enoic acid is sourced from PubChem (CID 87262445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).