1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane

C19H36Br2 — CID 143189115

IUPAC1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane
SMILESCC.CCC1CCC(C2CCC(C(Br)CCBr)CC2)CC1
InChIInChI=1S/C17H30Br2.C2H6/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(19)11-12-18;1-2/h13-17H,2-12H2,1H3;1-2H3
InChIKeyXNMOFUXRQKAMQM-UHFFFAOYSA-N
MW424.31 g/mol
LogP7.58
Rot. Bonds5

About 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane

1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane (PubChem CID 143189115) has the molecular formula C19H36Br2 and a molecular weight of 424.31 g/mol. Its IUPAC name is 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane.

Molecular Properties

Compound Name1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane
PubChem CID143189115
Molecular FormulaC19H36Br2
Molecular Weight424.31 g/mol
Exact Mass422.12
IUPAC Name1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane
SMILESCC.CCC1CCC(C2CCC(C(Br)CCBr)CC2)CC1
InChIInChI=1S/C17H30Br2.C2H6/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(19)11-12-18;1-2/h13-17H,2-12H2,1H3;1-2H3
InChIKeyXNMOFUXRQKAMQM-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.31
LogP ≤ 57.58
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-ethylcyclohexane
CID 143189169
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,3-dibromopropylcyclopentane
CID 119055057
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
CID 79298120
ethane;ethylcyclopropane
CID 91380076
1-(1,2-dibromoethyl)-4-(4-heptylcyclohexyl)cyclohexane
CID 141109474
1-bromotetradecylcyclopropane
CID 55193412
1-(1-bromo-2-methylpropyl)-4-ethylcycloheptane
CID 79298349
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
(1-bromo-5-methylhexyl)cyclopropane
CID 63472651
1-(1-bromoethyl)-3-ethylcyclopentane
CID 66470468

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane?
The IUPAC name of 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane (CID 143189115) is 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane.
What is the SMILES notation for 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane?
The canonical SMILES for 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane is CC.CCC1CCC(C2CCC(C(Br)CCBr)CC2)CC1.
What is the InChIKey of 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane?
The InChIKey is XNMOFUXRQKAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Br2.C2H6/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(19)11-12-18;1-2/h13-17H,2-12H2,1H3;1-2H3.
What are the key properties of 1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane?
1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane has a molecular weight of 424.31 g/mol, XLogP of 7.58, 5 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-(4-ethylcyclohexyl)cyclohexane;ethane is sourced from PubChem (CID 143189115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).