(1Z)-2-bromocyclododecene-1-carboxylic acid

C13H21BrO2 — CID 135023693

IUPAC(1Z)-2-bromocyclododecene-1-carboxylic acid
SMILESO=C(O)/C1=C(\Br)CCCCCCCCCC1
InChIInChI=1S/C13H21BrO2/c14-12-10-8-6-4-2-1-3-5-7-9-11(12)13(15)16/h1-10H2,(H,15,16)/b12-11-
InChIKeyVFSRXGHQTHKSFG-QXMHVHEDSA-N
MW289.21 g/mol
LogP4.63
Rot. Bonds1

About (1Z)-2-bromocyclododecene-1-carboxylic acid

(1Z)-2-bromocyclododecene-1-carboxylic acid (PubChem CID 135023693) has the molecular formula C13H21BrO2 and a molecular weight of 289.21 g/mol. Its IUPAC name is (1Z)-2-bromocyclododecene-1-carboxylic acid.

Molecular Properties

Compound Name(1Z)-2-bromocyclododecene-1-carboxylic acid
PubChem CID135023693
Molecular FormulaC13H21BrO2
Molecular Weight289.21 g/mol
Exact Mass288.07
IUPAC Name(1Z)-2-bromocyclododecene-1-carboxylic acid
SMILESO=C(O)/C1=C(\Br)CCCCCCCCCC1
InChIInChI=1S/C13H21BrO2/c14-12-10-8-6-4-2-1-3-5-7-9-11(12)13(15)16/h1-10H2,(H,15,16)/b12-11-
InChIKeyVFSRXGHQTHKSFG-QXMHVHEDSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Nonene-2,3-dicarboxylic acid
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CID 19019914
2-Ethylcyclohex-1-ene-1-carboxylic acid
CID 12869576
2-Methyl-1-cyclohexene-1-carboxylic acid
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(1Z)-2-bromocyclooctene-1-carboxylic acid
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Methyl cycloundec-1-enecarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-bromocyclododecene-1-carboxylic acid?
The IUPAC name of (1Z)-2-bromocyclododecene-1-carboxylic acid (CID 135023693) is (1Z)-2-bromocyclododecene-1-carboxylic acid.
What is the SMILES notation for (1Z)-2-bromocyclododecene-1-carboxylic acid?
The canonical SMILES for (1Z)-2-bromocyclododecene-1-carboxylic acid is O=C(O)/C1=C(\Br)CCCCCCCCCC1.
What is the InChIKey of (1Z)-2-bromocyclododecene-1-carboxylic acid?
The InChIKey is VFSRXGHQTHKSFG-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H21BrO2/c14-12-10-8-6-4-2-1-3-5-7-9-11(12)13(15)16/h1-10H2,(H,15,16)/b12-11-.
What are the key properties of (1Z)-2-bromocyclododecene-1-carboxylic acid?
(1Z)-2-bromocyclododecene-1-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-bromocyclododecene-1-carboxylic acid is sourced from PubChem (CID 135023693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).