6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C16H20O — CID 79429311

IUPAC6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1CCC1CC1
InChIInChI=1S/C16H20O/c17-16-14(11-10-12-8-9-12)6-3-5-13-4-1-2-7-15(13)16/h1-2,4,7,12,14H,3,5-6,8-11H2
InChIKeyOLQIGOKPMGTAPQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.01
Rot. Bonds3

About 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 79429311) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID79429311
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1CCC1CC1
InChIInChI=1S/C16H20O/c17-16-14(11-10-12-8-9-12)6-3-5-13-4-1-2-7-15(13)16/h1-2,4,7,12,14H,3,5-6,8-11H2
InChIKeyOLQIGOKPMGTAPQ-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 79429311) is 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is O=C1c2ccccc2CCCC1CCC1CC1.
What is the InChIKey of 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is OLQIGOKPMGTAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c17-16-14(11-10-12-8-9-12)6-3-5-13-4-1-2-7-15(13)16/h1-2,4,7,12,14H,3,5-6,8-11H2.
What are the key properties of 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 228.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 79429311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).