(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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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).