(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid

C11H16O2 — CID 177407584

IUPAC(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
SMILESO=C(O)C1C/C=C/CC/C=C\CC1
InChIInChI=1S/C11H16O2/c12-11(13)10-8-6-4-2-1-3-5-7-9-10/h2,4-5,7,10H,1,3,6,8-9H2,(H,12,13)/b4-2-,7-5+
InChIKeyCLUNRJRUFGJROO-USMLMTEFSA-N
MW180.25 g/mol
LogP2.76
Rot. Bonds1

About (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid

(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid (PubChem CID 177407584) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid.

Molecular Properties

Compound Name(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
PubChem CID177407584
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
SMILESO=C(O)C1C/C=C/CC/C=C\CC1
InChIInChI=1S/C11H16O2/c12-11(13)10-8-6-4-2-1-3-5-7-9-10/h2,4-5,7,10H,1,3,6,8-9H2,(H,12,13)/b4-2-,7-5+
InChIKeyCLUNRJRUFGJROO-USMLMTEFSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.76
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

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CID 68707781
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Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid?
The IUPAC name of (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid (CID 177407584) is (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid.
What is the SMILES notation for (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid?
The canonical SMILES for (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid is O=C(O)C1C/C=C/CC/C=C\CC1.
What is the InChIKey of (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid?
The InChIKey is CLUNRJRUFGJROO-USMLMTEFSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(13)10-8-6-4-2-1-3-5-7-9-10/h2,4-5,7,10H,1,3,6,8-9H2,(H,12,13)/b4-2-,7-5+.
What are the key properties of (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid?
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid has a molecular weight of 180.25 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid is sourced from PubChem (CID 177407584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).