(1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde

C10H16O2 — CID 15560382

IUPAC(1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde
SMILESCC(C=O)[C@@H]1CC[C@@H](C)[C@@H]1C=O
InChIInChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8?,9+,10+/m1/s1
InChIKeyHMCYXRFNNOPPPR-ITRGKUQCSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds3

About (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde

(1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde (PubChem CID 15560382) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde
PubChem CID15560382
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde
SMILESCC(C=O)[C@@H]1CC[C@@H](C)[C@@H]1C=O
InChIInChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8?,9+,10+/m1/s1
InChIKeyHMCYXRFNNOPPPR-ITRGKUQCSA-N
XLogP1.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde
CID 11447184
cis-(1S,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid
CID 130925826
(1R,2R,5S)-2-[(E,2S)-3,6-dioxohept-4-en-2-yl]-5-methylcyclopentane-1-carbaldehyde
CID 163032335
(2S)-2-cyclopropylpropanal
CID 59475987
2-ethyl-5-methylcyclopentane-1-carbaldehyde
CID 53404840
2-(3-hydroxy-4-methylcyclohexyl)propanal
CID 130035363
(5R)-2-methyl-5-(2-oxoethyl)cyclopentane-1-carbaldehyde
CID 130738658
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane
CID 123373776
2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)propanal
CID 170362856
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
cyclopropane;2-cyclopropylpropanal;2-methyloxirane
CID 174820303

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde?
The IUPAC name of (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde (CID 15560382) is (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde?
The canonical SMILES for (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde is CC(C=O)[C@@H]1CC[C@@H](C)[C@@H]1C=O.
What is the InChIKey of (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde?
The InChIKey is HMCYXRFNNOPPPR-ITRGKUQCSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8?,9+,10+/m1/s1.
What are the key properties of (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde?
(1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 15560382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).