1-bromodecan-2-ylcyclopentane

C15H29Br — CID 112570528

IUPAC1-bromodecan-2-ylcyclopentane
SMILESCCCCCCCCC(CBr)C1CCCC1
InChIInChI=1S/C15H29Br/c1-2-3-4-5-6-7-12-15(13-16)14-10-8-9-11-14/h14-15H,2-13H2,1H3
InChIKeyLDLXHLCYMSCMOP-UHFFFAOYSA-N
MW289.30 g/mol
LogP5.94
Rot. Bonds9

About 1-bromodecan-2-ylcyclopentane

1-bromodecan-2-ylcyclopentane (PubChem CID 112570528) has the molecular formula C15H29Br and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-bromodecan-2-ylcyclopentane.

Molecular Properties

Compound Name1-bromodecan-2-ylcyclopentane
PubChem CID112570528
Molecular FormulaC15H29Br
Molecular Weight289.30 g/mol
Exact Mass288.15
IUPAC Name1-bromodecan-2-ylcyclopentane
SMILESCCCCCCCCC(CBr)C1CCCC1
InChIInChI=1S/C15H29Br/c1-2-3-4-5-6-7-12-15(13-16)14-10-8-9-11-14/h14-15H,2-13H2,1H3
InChIKeyLDLXHLCYMSCMOP-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.30
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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undecan-5-ylcyclohexane
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2-cyclopentyloctan-1-amine
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2-cyclopentyl-N-methyldodecan-1-amine
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2-cyclopentyl-N-propan-2-yloctan-1-amine
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2-cyclopentyl-N-propylundecan-1-amine
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2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
CID 22214511
CID 22214511
1-cycloheptyldecylcycloheptane
CID 20559033
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CID 16404

Frequently Asked Questions

What is the IUPAC name of 1-bromodecan-2-ylcyclopentane?
The IUPAC name of 1-bromodecan-2-ylcyclopentane (CID 112570528) is 1-bromodecan-2-ylcyclopentane.
What is the SMILES notation for 1-bromodecan-2-ylcyclopentane?
The canonical SMILES for 1-bromodecan-2-ylcyclopentane is CCCCCCCCC(CBr)C1CCCC1.
What is the InChIKey of 1-bromodecan-2-ylcyclopentane?
The InChIKey is LDLXHLCYMSCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Br/c1-2-3-4-5-6-7-12-15(13-16)14-10-8-9-11-14/h14-15H,2-13H2,1H3.
What are the key properties of 1-bromodecan-2-ylcyclopentane?
1-bromodecan-2-ylcyclopentane has a molecular weight of 289.30 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromodecan-2-ylcyclopentane is sourced from PubChem (CID 112570528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).