6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene

C15H22O — CID 3108045

IUPAC6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
SMILESC=CC1OC2CCCCC2C2=CCCCC21
InChIInChI=1S/C15H22O/c1-2-14-12-8-4-3-7-11(12)13-9-5-6-10-15(13)16-14/h2,7,12-15H,1,3-6,8-10H2
InChIKeyMNWLUKWOQKIWCI-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds1

About 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene

6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene (PubChem CID 3108045) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene.

Molecular Properties

Compound Name6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
PubChem CID3108045
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
SMILESC=CC1OC2CCCCC2C2=CCCCC21
InChIInChI=1S/C15H22O/c1-2-14-12-8-4-3-7-11(12)13-9-5-6-10-15(13)16-14/h2,7,12-15H,1,3-6,8-10H2
InChIKeyMNWLUKWOQKIWCI-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
The IUPAC name of 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene (CID 3108045) is 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene.
What is the SMILES notation for 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
The canonical SMILES for 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene is C=CC1OC2CCCCC2C2=CCCCC21.
What is the InChIKey of 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
The InChIKey is MNWLUKWOQKIWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-14-12-8-4-3-7-11(12)13-9-5-6-10-15(13)16-14/h2,7,12-15H,1,3-6,8-10H2.
What are the key properties of 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene is sourced from PubChem (CID 3108045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).