(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid

C13H14O2 — CID 22261741

IUPAC(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid
SMILESO=C(O)c1cccc2c1/C=C\CCCC2
InChIInChI=1S/C13H14O2/c14-13(15)12-9-5-7-10-6-3-1-2-4-8-11(10)12/h4-5,7-9H,1-3,6H2,(H,14,15)/b8-4-
InChIKeyCAMZUMDEZYHQRH-YWEYNIOJSA-N
MW202.25 g/mol
LogP3.12
Rot. Bonds1

About (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid

(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid (PubChem CID 22261741) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid.

Molecular Properties

Compound Name(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid
PubChem CID22261741
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid
SMILESO=C(O)c1cccc2c1/C=C\CCCC2
InChIInChI=1S/C13H14O2/c14-13(15)12-9-5-7-10-6-3-1-2-4-8-11(10)12/h4-5,7-9H,1-3,6H2,(H,14,15)/b8-4-
InChIKeyCAMZUMDEZYHQRH-YWEYNIOJSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-oxo-5,6-dihydronaphthalene-1-carboxamide
CID 89159076
1-(5,6-dihydronaphthalen-1-yl)-2-methylbutan-1-one
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7,8,9,10-tetrahydrobenzo[8]annulene
CID 54518791
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
CID 134982097
9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
2-amino-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzoic acid
CID 115546412
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654
1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 14994244
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
phthalic acid;3,4,5,6-tetrahydrochrysene
CID 174338796

Frequently Asked Questions

What is the IUPAC name of (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid?
The IUPAC name of (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid (CID 22261741) is (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid.
What is the SMILES notation for (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid?
The canonical SMILES for (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid is O=C(O)c1cccc2c1/C=C\CCCC2.
What is the InChIKey of (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid?
The InChIKey is CAMZUMDEZYHQRH-YWEYNIOJSA-N. The full InChI is InChI=1S/C13H14O2/c14-13(15)12-9-5-7-10-6-3-1-2-4-8-11(10)12/h4-5,7-9H,1-3,6H2,(H,14,15)/b8-4-.
What are the key properties of (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid?
(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid is sourced from PubChem (CID 22261741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).