5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid

C15H20O2 — CID 163567467

IUPAC5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCCCCCC2
InChIInChI=1S/C15H20O2/c16-15(17)14-10-9-12-7-5-3-1-2-4-6-8-13(12)11-14/h9-11H,1-8H2,(H,16,17)
InChIKeyFWKVMPJVHCWTCG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.82
Rot. Bonds1

About 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid

5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid (PubChem CID 163567467) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
PubChem CID163567467
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCCCCCC2
InChIInChI=1S/C15H20O2/c16-15(17)14-10-9-12-7-5-3-1-2-4-6-8-13(12)11-14/h9-11H,1-8H2,(H,16,17)
InChIKeyFWKVMPJVHCWTCG-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
(E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid
CID 6199583
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
CID 57251163
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
4-[(E)-3-(2,3-dihydro-1H-inden-5-yl)-3-oxoprop-1-enyl]benzoic acid
CID 8832153
3-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzoic acid
CID 107957682
5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid
CID 18989995
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 62679922
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid?
The IUPAC name of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid (CID 163567467) is 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid.
What is the SMILES notation for 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid?
The canonical SMILES for 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid is O=C(O)c1ccc2c(c1)CCCCCCCC2.
What is the InChIKey of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid?
The InChIKey is FWKVMPJVHCWTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15(17)14-10-9-12-7-5-3-1-2-4-6-8-13(12)11-14/h9-11H,1-8H2,(H,16,17).
What are the key properties of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid?
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid is sourced from PubChem (CID 163567467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).