1-bromopentane

C5H11Br — CID 8057

IUPAC1-bromopentane
SMILESCCCCCBr
InChIInChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeyYZWKKMVJZFACSU-UHFFFAOYSA-N
MW151.05 g/mol
LogP2.57
Rot. Bonds3

About 1-bromopentane

1-bromopentane (PubChem CID 8057) has the molecular formula C5H11Br and a molecular weight of 151.05 g/mol. Its IUPAC name is 1-bromopentane.

Molecular Properties

Compound Name1-bromopentane
PubChem CID8057
Molecular FormulaC5H11Br
Molecular Weight151.05 g/mol
Exact Mass150.00
IUPAC Name1-bromopentane
SMILESCCCCCBr
InChIInChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeyYZWKKMVJZFACSU-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.05
LogP ≤ 52.57
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

Butyl bromide
CID 8002
1-Bromohexane
CID 8101
2-Bromobutane
CID 6554
2-Bromopentane
CID 7890
1-Bromoheptane
CID 12369
2-Bromohexane
CID 18805
1,5-Dibromopentane
CID 8100
1,4-Dibromopentane
CID 79082
3-Bromopentane
CID 15738
3-Bromohexane
CID 18806
Pentane, 2,4-dibromo-
CID 137228
2,3-Dibromopentane
CID 95366

Frequently Asked Questions

What is the IUPAC name of 1-bromopentane?
The IUPAC name of 1-bromopentane (CID 8057) is 1-bromopentane.
What is the SMILES notation for 1-bromopentane?
The canonical SMILES for 1-bromopentane is CCCCCBr.
What is the InChIKey of 1-bromopentane?
The InChIKey is YZWKKMVJZFACSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3.
What are the key properties of 1-bromopentane?
1-bromopentane has a molecular weight of 151.05 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopentane is sourced from PubChem (CID 8057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).