(1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde

C12H20O3 — CID 11447184

IUPAC(1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde
SMILESC[C@H]1CC[C@H]([C@@H](C)C2OCCO2)[C@@H]1C=O
InChIInChI=1S/C12H20O3/c1-8-3-4-10(11(8)7-13)9(2)12-14-5-6-15-12/h7-12H,3-6H2,1-2H3/t8-,9+,10+,11+/m0/s1
InChIKeyMRNFTTCGBMNQJY-LNFKQOIKSA-N
MW212.29 g/mol
LogP1.86
Rot. Bonds3

About (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde

(1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde (PubChem CID 11447184) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde
PubChem CID11447184
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde
SMILESC[C@H]1CC[C@H]([C@@H](C)C2OCCO2)[C@@H]1C=O
InChIInChI=1S/C12H20O3/c1-8-3-4-10(11(8)7-13)9(2)12-14-5-6-15-12/h7-12H,3-6H2,1-2H3/t8-,9+,10+,11+/m0/s1
InChIKeyMRNFTTCGBMNQJY-LNFKQOIKSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde?
The IUPAC name of (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde (CID 11447184) is (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde.
What is the SMILES notation for (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde?
The canonical SMILES for (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde is C[C@H]1CC[C@H]([C@@H](C)C2OCCO2)[C@@H]1C=O.
What is the InChIKey of (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde?
The InChIKey is MRNFTTCGBMNQJY-LNFKQOIKSA-N. The full InChI is InChI=1S/C12H20O3/c1-8-3-4-10(11(8)7-13)9(2)12-14-5-6-15-12/h7-12H,3-6H2,1-2H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde?
(1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 11447184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).