(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid

C14H20O2 — CID 5337761

IUPAC(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
SMILESO=C(O)C1C2CC/C=C\CC/C=C/CCC21
InChIInChI=1S/C14H20O2/c15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12(11)13/h3-6,11-13H,1-2,7-10H2,(H,15,16)/b5-3-,6-4+
InChIKeyIOZRVTUKBUOZNP-CIIODKQPSA-N
MW220.31 g/mol
LogP3.40
Rot. Bonds1

About (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid

(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid (PubChem CID 5337761) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid.

Molecular Properties

Compound Name(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
PubChem CID5337761
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
SMILESO=C(O)C1C2CC/C=C\CC/C=C/CCC21
InChIInChI=1S/C14H20O2/c15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12(11)13/h3-6,11-13H,1-2,7-10H2,(H,15,16)/b5-3-,6-4+
InChIKeyIOZRVTUKBUOZNP-CIIODKQPSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
CID 89147518
(1R,4R,5R,6R,9E,13S,14S)-tricyclo[11.1.0.04,6]tetradec-9-ene-5,14-dicarboxylic acid
CID 51412344
(1S,2S,5S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 98557571
(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
CID 55300069
(2S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 134081589
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
CID 131113488
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 89182498
(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 134331533
4-azabicyclo[5.1.0]octane-8-carboxylic acid
CID 82416387
(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 814819
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013

Frequently Asked Questions

What is the IUPAC name of (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid?
The IUPAC name of (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid (CID 5337761) is (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid.
What is the SMILES notation for (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid?
The canonical SMILES for (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid is O=C(O)C1C2CC/C=C\CC/C=C/CCC21.
What is the InChIKey of (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid?
The InChIKey is IOZRVTUKBUOZNP-CIIODKQPSA-N. The full InChI is InChI=1S/C14H20O2/c15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12(11)13/h3-6,11-13H,1-2,7-10H2,(H,15,16)/b5-3-,6-4+.
What are the key properties of (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid?
(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid has a molecular weight of 220.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid is sourced from PubChem (CID 5337761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).