cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid

C10H16Br2O2 — CID 124578346

IUPACcis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)[C@@]1(C(Br)Br)CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H16Br2O2/c1-6(2)10(9(11)12)4-3-7(5-10)8(13)14/h6-7,9H,3-5H2,1-2H3,(H,13,14)/t7-,10-/m1/s1
InChIKeySWHZBCXENNUQGH-GMSGAONNSA-N
MW328.04 g/mol
LogP3.63
Rot. Bonds3

About cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid

cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 124578346) has the molecular formula C10H16Br2O2 and a molecular weight of 328.04 g/mol. Its IUPAC name is cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID124578346
Molecular FormulaC10H16Br2O2
Molecular Weight328.04 g/mol
Exact Mass325.95
IUPAC Namecis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)[C@@]1(C(Br)Br)CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H16Br2O2/c1-6(2)10(9(11)12)4-3-7(5-10)8(13)14/h6-7,9H,3-5H2,1-2H3,(H,13,14)/t7-,10-/m1/s1
InChIKeySWHZBCXENNUQGH-GMSGAONNSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid (CID 124578346) is cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid is CC(C)[C@@]1(C(Br)Br)CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is SWHZBCXENNUQGH-GMSGAONNSA-N. The full InChI is InChI=1S/C10H16Br2O2/c1-6(2)10(9(11)12)4-3-7(5-10)8(13)14/h6-7,9H,3-5H2,1-2H3,(H,13,14)/t7-,10-/m1/s1.
What are the key properties of cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid?
cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 328.04 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 124578346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).