1-bromo-3-hept-6-enylcyclopentane

C12H21Br — CID 107010537

IUPAC1-bromo-3-hept-6-enylcyclopentane
SMILESC=CCCCCCC1CCC(Br)C1
InChIInChI=1S/C12H21Br/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h2,11-12H,1,3-10H2
InChIKeyMBUZVGNJTFOHKR-UHFFFAOYSA-N
MW245.20 g/mol
LogP4.69
Rot. Bonds6

About 1-bromo-3-hept-6-enylcyclopentane

1-bromo-3-hept-6-enylcyclopentane (PubChem CID 107010537) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-bromo-3-hept-6-enylcyclopentane.

Molecular Properties

Compound Name1-bromo-3-hept-6-enylcyclopentane
PubChem CID107010537
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name1-bromo-3-hept-6-enylcyclopentane
SMILESC=CCCCCCC1CCC(Br)C1
InChIInChI=1S/C12H21Br/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h2,11-12H,1,3-10H2
InChIKeyMBUZVGNJTFOHKR-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.69
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-heptylcyclopentane
CID 64509382
hex-5-enylcyclopentane
CID 20565123
1-bromo-3-butylcyclopentane
CID 64508261
3-hept-6-enylpyrrolidine
CID 107010775
4-hex-5-enylcyclopentene
CID 154064369
1-pent-4-enyl-4-prop-2-enoxycyclohexane
CID 70397512
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
1-bromo-3-hexylcycloheptane
CID 64508523
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane
CID 57103728

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-hept-6-enylcyclopentane?
The IUPAC name of 1-bromo-3-hept-6-enylcyclopentane (CID 107010537) is 1-bromo-3-hept-6-enylcyclopentane.
What is the SMILES notation for 1-bromo-3-hept-6-enylcyclopentane?
The canonical SMILES for 1-bromo-3-hept-6-enylcyclopentane is C=CCCCCCC1CCC(Br)C1.
What is the InChIKey of 1-bromo-3-hept-6-enylcyclopentane?
The InChIKey is MBUZVGNJTFOHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h2,11-12H,1,3-10H2.
What are the key properties of 1-bromo-3-hept-6-enylcyclopentane?
1-bromo-3-hept-6-enylcyclopentane has a molecular weight of 245.20 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-hept-6-enylcyclopentane is sourced from PubChem (CID 107010537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).