1-bromo-2-nonylcyclopropene

C12H21Br — CID 22621660

IUPAC1-bromo-2-nonylcyclopropene
SMILESCCCCCCCCCC1=C(Br)C1
InChIInChI=1S/C12H21Br/c1-2-3-4-5-6-7-8-9-11-10-12(11)13/h2-10H2,1H3
InChIKeyRXNSJVDOOOFDBE-UHFFFAOYSA-N
MW245.20 g/mol
LogP5.18
Rot. Bonds8

About 1-bromo-2-nonylcyclopropene

1-bromo-2-nonylcyclopropene (PubChem CID 22621660) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-bromo-2-nonylcyclopropene.

Molecular Properties

Compound Name1-bromo-2-nonylcyclopropene
PubChem CID22621660
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name1-bromo-2-nonylcyclopropene
SMILESCCCCCCCCCC1=C(Br)C1
InChIInChI=1S/C12H21Br/c1-2-3-4-5-6-7-8-9-11-10-12(11)13/h2-10H2,1H3
InChIKeyRXNSJVDOOOFDBE-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.20
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 557048
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1,2-dihexylcyclohexene
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7-(2-octylcyclopropen-1-yl)heptanoic acid
CID 10416
8-(2-heptylcyclopropen-1-yl)octanoic acid
CID 68593336
(1Z)-1,2-dipentylcyclononene
CID 134981785
1-(2-methyloctadecan-2-yl)-2-octylcyclopropene
CID 174767286
1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene
CID 175795883
2,6-dibromo-5-dodecyl-3,4-dihydro-2H-thiopyran;ethane
CID 145013688
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
2,5-dibromo-3,4-didecylthiophene
CID 59856343
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-nonylcyclopropene?
The IUPAC name of 1-bromo-2-nonylcyclopropene (CID 22621660) is 1-bromo-2-nonylcyclopropene.
What is the SMILES notation for 1-bromo-2-nonylcyclopropene?
The canonical SMILES for 1-bromo-2-nonylcyclopropene is CCCCCCCCCC1=C(Br)C1.
What is the InChIKey of 1-bromo-2-nonylcyclopropene?
The InChIKey is RXNSJVDOOOFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c1-2-3-4-5-6-7-8-9-11-10-12(11)13/h2-10H2,1H3.
What are the key properties of 1-bromo-2-nonylcyclopropene?
1-bromo-2-nonylcyclopropene has a molecular weight of 245.20 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-nonylcyclopropene is sourced from PubChem (CID 22621660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).