(5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde

C10H14O2 — CID 11019224

IUPAC(5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde
SMILESCC1=C(C=O)[C@@H]([C@H](C)C=O)CC1
InChIInChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-6,8-9H,3-4H2,1-2H3/t8-,9-/m1/s1
InChIKeyOPYIDDKLXUUEPE-RKDXNWHRSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds3

About (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde

(5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde (PubChem CID 11019224) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde
PubChem CID11019224
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde
SMILESCC1=C(C=O)[C@@H]([C@H](C)C=O)CC1
InChIInChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-6,8-9H,3-4H2,1-2H3/t8-,9-/m1/s1
InChIKeyOPYIDDKLXUUEPE-RKDXNWHRSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
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

(5R)-2-methyl-5-prop-1-en-2-ylcyclopentene-1-carbaldehyde
CID 12634576
(2S)-2-cyclopropylpropanal
CID 59475987
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal
CID 105446067
(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde
CID 102406673
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
CID 76958477
ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate
CID 54087253
(1R,2R)-2-(4-bromophenyl)-4-methylcyclohex-3-ene-1,3-dicarbaldehyde
CID 102406675
2-ethynyl-1-methyl-3-propan-2-ylcyclopentene
CID 14565314
2-(thian-4-yl)propanal
CID 83905312
2-cyclooct-4-en-1-ylpropanal
CID 54287694
3-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carbaldehyde
CID 88986054
2-(4-methyl-3-oxocyclohexyl)propanal
CID 10964913

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde?
The IUPAC name of (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde (CID 11019224) is (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde.
What is the SMILES notation for (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde?
The canonical SMILES for (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde is CC1=C(C=O)[C@@H]([C@H](C)C=O)CC1.
What is the InChIKey of (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde?
The InChIKey is OPYIDDKLXUUEPE-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-6,8-9H,3-4H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde?
(5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.75, 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-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde is sourced from PubChem (CID 11019224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).