4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol

C16H27IO2 — CID 154935555

IUPAC4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol
SMILESC=C1C(C2CCCCCCCC2)CC(O)C1(I)CO
InChIInChI=1S/C16H27IO2/c1-12-14(10-15(19)16(12,17)11-18)13-8-6-4-2-3-5-7-9-13/h13-15,18-19H,1-11H2
InChIKeyPLZWKMHGYMMJIW-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.84
Rot. Bonds2

About 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol

4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol (PubChem CID 154935555) has the molecular formula C16H27IO2 and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol
PubChem CID154935555
Molecular FormulaC16H27IO2
Molecular Weight378.29 g/mol
Exact Mass378.11
IUPAC Name4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol
SMILESC=C1C(C2CCCCCCCC2)CC(O)C1(I)CO
InChIInChI=1S/C16H27IO2/c1-12-14(10-15(19)16(12,17)11-18)13-8-6-4-2-3-5-7-9-13/h13-15,18-19H,1-11H2
InChIKeyPLZWKMHGYMMJIW-UHFFFAOYSA-N
XLogP3.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol?
The IUPAC name of 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol (CID 154935555) is 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol?
The canonical SMILES for 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol is C=C1C(C2CCCCCCCC2)CC(O)C1(I)CO.
What is the InChIKey of 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol?
The InChIKey is PLZWKMHGYMMJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27IO2/c1-12-14(10-15(19)16(12,17)11-18)13-8-6-4-2-3-5-7-9-13/h13-15,18-19H,1-11H2.
What are the key properties of 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol?
4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol has a molecular weight of 378.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclononyl-2-(hydroxymethyl)-2-iodo-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 154935555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).