actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde

C7H10AcO2 — CID 18720250

IUPACactinium;2-hydroxycyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CCC=CC1O.[Ac]
InChIInChI=1S/C7H10O2.Ac/c8-5-6-3-1-2-4-7(6)9;/h2,4-7,9H,1,3H2;
InChIKeyNRLCUNHNXZRQTM-UHFFFAOYSA-N
MW353.16 g/mol
LogP0.51
Rot. Bonds1

About actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde

actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde (PubChem CID 18720250) has the molecular formula C7H10AcO2 and a molecular weight of 353.16 g/mol. Its IUPAC name is actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Nameactinium;2-hydroxycyclohex-3-ene-1-carbaldehyde
PubChem CID18720250
Molecular FormulaC7H10AcO2
Molecular Weight353.16 g/mol
Exact Mass353.10
IUPAC Nameactinium;2-hydroxycyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CCC=CC1O.[Ac]
InChIInChI=1S/C7H10O2.Ac/c8-5-6-3-1-2-4-7(6)9;/h2,4-7,9H,1,3H2;
InChIKeyNRLCUNHNXZRQTM-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethenylcyclohex-2-en-1-ol
CID 13203961
6-[(E)-2-methoxyethenyl]cyclohex-2-en-1-ol
CID 130127413
(1S,6R)-6-aminocyclohex-2-en-1-ol
CID 55284350
(1S)-cyclopent-2-en-1-ol
CID 11789128
(1S)-6-tert-butylcyclohex-2-en-1-ol
CID 102352565
tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate
CID 130003410
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
[(2E)-6-hydroxycyclooct-2-en-1-yl] formate
CID 155745296
tert-butyl N-[(1R,8R)-8-formylcyclooct-2-en-1-yl]carbamate
CID 98106498
cyclohex-3-ene-1,2-dicarboxylic acid;formic acid
CID 157447073
(1S,4aR,7R,8aR)-7-hydroxy-8-oxo-2,4a,5,6,7,8a-hexahydro-1H-naphthalene-1-carbaldehyde
CID 11389940
7-hydroxy-8-oxo-2,4a,5,6,7,8a-hexahydro-1H-naphthalene-1-carbaldehyde
CID 72828555

Frequently Asked Questions

What is the IUPAC name of actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde (CID 18720250) is actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde is O=CC1CCC=CC1O.[Ac].
What is the InChIKey of actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is NRLCUNHNXZRQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.Ac/c8-5-6-3-1-2-4-7(6)9;/h2,4-7,9H,1,3H2;.
What are the key properties of actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde?
actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 353.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 18720250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).