(5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde

C9H14O2 — CID 130738658

IUPAC(5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde
SMILESCC1CC[C@H](CC=O)C1C=O
InChIInChI=1S/C9H14O2/c1-7-2-3-8(4-5-10)9(7)6-11/h5-9H,2-4H2,1H3/t7?,8-,9?/m1/s1
InChIKeyHPNUQMXMFXJVMK-QJAFJHJLSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds3

About (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde

(5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde (PubChem CID 130738658) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde
PubChem CID130738658
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde
SMILESCC1CC[C@H](CC=O)C1C=O
InChIInChI=1S/C9H14O2/c1-7-2-3-8(4-5-10)9(7)6-11/h5-9H,2-4H2,1H3/t7?,8-,9?/m1/s1
InChIKeyHPNUQMXMFXJVMK-QJAFJHJLSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde?
The IUPAC name of (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde (CID 130738658) is (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde is CC1CC[C@H](CC=O)C1C=O.
What is the InChIKey of (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde?
The InChIKey is HPNUQMXMFXJVMK-QJAFJHJLSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-2-3-8(4-5-10)9(7)6-11/h5-9H,2-4H2,1H3/t7?,8-,9?/m1/s1.
What are the key properties of (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde?
(5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 130738658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).