(1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol

C8H11IO2 — CID 70817884

IUPAC(1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol
SMILESOC=C1C/C(=C/I)C[C@@H](O)C1
InChIInChI=1S/C8H11IO2/c9-4-6-1-7(5-10)3-8(11)2-6/h4-5,8,10-11H,1-3H2/b6-4-,7-5?/t8-/m1/s1
InChIKeyIKIHFIAQBWGKPK-VWFRWZKESA-N
MW266.08 g/mol
LogP2.29
Rot. Bonds

About (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol

(1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol (PubChem CID 70817884) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol
PubChem CID70817884
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Name(1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol
SMILESOC=C1C/C(=C/I)C[C@@H](O)C1
InChIInChI=1S/C8H11IO2/c9-4-6-1-7(5-10)3-8(11)2-6/h4-5,8,10-11H,1-3H2/b6-4-,7-5?/t8-/m1/s1
InChIKeyIKIHFIAQBWGKPK-VWFRWZKESA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol?
The IUPAC name of (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol (CID 70817884) is (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol.
What is the SMILES notation for (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol?
The canonical SMILES for (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol is OC=C1C/C(=C/I)C[C@@H](O)C1.
What is the InChIKey of (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol?
The InChIKey is IKIHFIAQBWGKPK-VWFRWZKESA-N. The full InChI is InChI=1S/C8H11IO2/c9-4-6-1-7(5-10)3-8(11)2-6/h4-5,8,10-11H,1-3H2/b6-4-,7-5?/t8-/m1/s1.
What are the key properties of (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol?
(1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol has a molecular weight of 266.08 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5Z)-3-(hydroxymethylidene)-5-(iodomethylidene)cyclohexan-1-ol is sourced from PubChem (CID 70817884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).