cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone

C14H18O2 — CID 57138830

IUPACcyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)C2C=CCCC2)C=C1
InChIInChI=1S/C14H18O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h3,5,7,9-12H,2,4,6,8H2,1H3
InChIKeyYCFROXDAVPVXKL-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.02
Rot. Bonds3

About cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone

cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone (PubChem CID 57138830) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
PubChem CID57138830
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namecyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)C2C=CCCC2)C=C1
InChIInChI=1S/C14H18O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h3,5,7,9-12H,2,4,6,8H2,1H3
InChIKeyYCFROXDAVPVXKL-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
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-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone (CID 57138830) is cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone is COC1=CCC(C(=O)C2C=CCCC2)C=C1.
What is the InChIKey of cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is YCFROXDAVPVXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h3,5,7,9-12H,2,4,6,8H2,1H3.
What are the key properties of cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 57138830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).