cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone

C13H20O2 — CID 130205000

IUPACcyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone
SMILESO=C(C1C=CCCC1)C1CCCCC1O
InChIInChI=1S/C13H20O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h2,6,10-12,14H,1,3-5,7-9H2
InChIKeyVVXQGJKYKHDHKZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.46
Rot. Bonds2

About cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone

cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone (PubChem CID 130205000) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Namecyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone
PubChem CID130205000
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone
SMILESO=C(C1C=CCCC1)C1CCCCC1O
InChIInChI=1S/C13H20O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h2,6,10-12,14H,1,3-5,7-9H2
InChIKeyVVXQGJKYKHDHKZ-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone?
The IUPAC name of cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone (CID 130205000) is cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone.
What is the SMILES notation for cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone?
The canonical SMILES for cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone is O=C(C1C=CCCC1)C1CCCCC1O.
What is the InChIKey of cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone?
The InChIKey is VVXQGJKYKHDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h2,6,10-12,14H,1,3-5,7-9H2.
What are the key properties of cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone?
cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone is sourced from PubChem (CID 130205000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).