2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene

C14H27BrO3 — CID 160770707

IUPAC2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene
SMILESCOC1CC(O)C(Br)C1.COC1CC=CC1.[2H]CC
InChIInChI=1S/C6H11BrO2.C6H10O.C2H6/c1-9-4-2-5(7)6(8)3-4;1-7-6-4-2-3-5-6;1-2/h4-6,8H,2-3H2,1H3;2-3,6H,4-5H2,1H3;1-2H3/i;;1D
InChIKeyRZGWJOBIVSNRMA-PRQZKWGPSA-N
MW324.28 g/mol
LogP3.30
Rot. Bonds2

About 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene

2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene (PubChem CID 160770707) has the molecular formula C14H27BrO3 and a molecular weight of 324.28 g/mol. Its IUPAC name is 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene.

Molecular Properties

Compound Name2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene
PubChem CID160770707
Molecular FormulaC14H27BrO3
Molecular Weight324.28 g/mol
Exact Mass323.12
IUPAC Name2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene
SMILESCOC1CC(O)C(Br)C1.COC1CC=CC1.[2H]CC
InChIInChI=1S/C6H11BrO2.C6H10O.C2H6/c1-9-4-2-5(7)6(8)3-4;1-7-6-4-2-3-5-6;1-2/h4-6,8H,2-3H2,1H3;2-3,6H,4-5H2,1H3;1-2H3/i;;1D
InChIKeyRZGWJOBIVSNRMA-PRQZKWGPSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene?
The IUPAC name of 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene (CID 160770707) is 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene.
What is the SMILES notation for 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene?
The canonical SMILES for 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene is COC1CC(O)C(Br)C1.COC1CC=CC1.[2H]CC.
What is the InChIKey of 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene?
The InChIKey is RZGWJOBIVSNRMA-PRQZKWGPSA-N. The full InChI is InChI=1S/C6H11BrO2.C6H10O.C2H6/c1-9-4-2-5(7)6(8)3-4;1-7-6-4-2-3-5-6;1-2/h4-6,8H,2-3H2,1H3;2-3,6H,4-5H2,1H3;1-2H3/i;;1D.
What are the key properties of 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene?
2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene has a molecular weight of 324.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxycyclopentan-1-ol;deuterioethane;4-methoxycyclopentene is sourced from PubChem (CID 160770707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).