2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one

C15H18O2 — CID 69302701

IUPAC2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one
SMILESO=C1CC(=C2C=CCCC2)OC2=C1CCCC2
InChIInChI=1S/C15H18O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6H,1,3-5,7-10H2
InChIKeyBJBGAJLXGDDBTA-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.80
Rot. Bonds

About 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one

2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one (PubChem CID 69302701) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one
PubChem CID69302701
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one
SMILESO=C1CC(=C2C=CCCC2)OC2=C1CCCC2
InChIInChI=1S/C15H18O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6H,1,3-5,7-10H2
InChIKeyBJBGAJLXGDDBTA-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one?
The IUPAC name of 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one (CID 69302701) is 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one.
What is the SMILES notation for 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one?
The canonical SMILES for 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one is O=C1CC(=C2C=CCCC2)OC2=C1CCCC2.
What is the InChIKey of 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one?
The InChIKey is BJBGAJLXGDDBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6H,1,3-5,7-10H2.
What are the key properties of 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one?
2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylidene-5,6,7,8-tetrahydrochromen-4-one is sourced from PubChem (CID 69302701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).