1-(1,3-dibromopropyl)-4-ethylcyclohexane

C11H20Br2 — CID 143189169

IUPAC1-(1,3-dibromopropyl)-4-ethylcyclohexane
SMILESCCC1CCC(C(Br)CCBr)CC1
InChIInChI=1S/C11H20Br2/c1-2-9-3-5-10(6-4-9)11(13)7-8-12/h9-11H,2-8H2,1H3
InChIKeyJNTNTVSDWGRGFQ-UHFFFAOYSA-N
MW312.09 g/mol
LogP4.75
Rot. Bonds4

About 1-(1,3-dibromopropyl)-4-ethylcyclohexane

1-(1,3-dibromopropyl)-4-ethylcyclohexane (PubChem CID 143189169) has the molecular formula C11H20Br2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 1-(1,3-dibromopropyl)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(1,3-dibromopropyl)-4-ethylcyclohexane
PubChem CID143189169
Molecular FormulaC11H20Br2
Molecular Weight312.09 g/mol
Exact Mass309.99
IUPAC Name1-(1,3-dibromopropyl)-4-ethylcyclohexane
SMILESCCC1CCC(C(Br)CCBr)CC1
InChIInChI=1S/C11H20Br2/c1-2-9-3-5-10(6-4-9)11(13)7-8-12/h9-11H,2-8H2,1H3
InChIKeyJNTNTVSDWGRGFQ-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane
CID 143189115
1,3-dibromopropylcyclopentane
CID 119055057
ethane;ethylcyclopropane
CID 91380076
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
CID 79298120
1-bromotetradecylcyclopropane
CID 55193412
(1-bromo-5-methylhexyl)cyclopropane
CID 63472651
1-(1-bromoethyl)-3-ethylcyclopentane
CID 66470468
azane;ethylcyclopropane
CID 20975579
1-(1-bromo-2-methylpropyl)-4-ethylcycloheptane
CID 79298349
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dibromopropyl)-4-ethylcyclohexane?
The IUPAC name of 1-(1,3-dibromopropyl)-4-ethylcyclohexane (CID 143189169) is 1-(1,3-dibromopropyl)-4-ethylcyclohexane.
What is the SMILES notation for 1-(1,3-dibromopropyl)-4-ethylcyclohexane?
The canonical SMILES for 1-(1,3-dibromopropyl)-4-ethylcyclohexane is CCC1CCC(C(Br)CCBr)CC1.
What is the InChIKey of 1-(1,3-dibromopropyl)-4-ethylcyclohexane?
The InChIKey is JNTNTVSDWGRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Br2/c1-2-9-3-5-10(6-4-9)11(13)7-8-12/h9-11H,2-8H2,1H3.
What are the key properties of 1-(1,3-dibromopropyl)-4-ethylcyclohexane?
1-(1,3-dibromopropyl)-4-ethylcyclohexane has a molecular weight of 312.09 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dibromopropyl)-4-ethylcyclohexane is sourced from PubChem (CID 143189169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).