1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane

C13H17Br — CID 151342530

IUPAC1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane
SMILESCC(=C1C=CC=C1Br)C1CCCCC1
InChIInChI=1S/C13H17Br/c1-10(11-6-3-2-4-7-11)12-8-5-9-13(12)14/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyOKTYPNQCQVKOPZ-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.73
Rot. Bonds1

About 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane

1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane (PubChem CID 151342530) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane.

Molecular Properties

Compound Name1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane
PubChem CID151342530
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane
SMILESCC(=C1C=CC=C1Br)C1CCCCC1
InChIInChI=1S/C13H17Br/c1-10(11-6-3-2-4-7-11)12-8-5-9-13(12)14/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyOKTYPNQCQVKOPZ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane?
The IUPAC name of 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane (CID 151342530) is 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane.
What is the SMILES notation for 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane?
The canonical SMILES for 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane is CC(=C1C=CC=C1Br)C1CCCCC1.
What is the InChIKey of 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane?
The InChIKey is OKTYPNQCQVKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-10(11-6-3-2-4-7-11)12-8-5-9-13(12)14/h5,8-9,11H,2-4,6-7H2,1H3.
What are the key properties of 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane?
1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane has a molecular weight of 253.18 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopenta-2,4-dien-1-ylidene)ethylcyclohexane is sourced from PubChem (CID 151342530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).