cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde

C13H16O2 — CID 90322673

IUPACcis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
SMILESC[C@]1(C=O)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C13H16O2/c1-13(10-14)7-12(13)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyRHJIUUOGIBGRPO-CHWSQXEVSA-N
MW204.27 g/mol
LogP2.43
Rot. Bonds5

About cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde

cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde (PubChem CID 90322673) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
PubChem CID90322673
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namecis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
SMILESC[C@]1(C=O)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C13H16O2/c1-13(10-14)7-12(13)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyRHJIUUOGIBGRPO-CHWSQXEVSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.43
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

2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
CID 161112347
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene
CID 155766116
1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 85086376
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732
cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine
CID 157253761
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
3-chloro-3-methyl-6-(phenylmethoxymethyl)spiro[3.3]heptan-2-one
CID 143443709
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde (CID 90322673) is cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde is C[C@]1(C=O)C[C@@H]1COCc1ccccc1.
What is the InChIKey of cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde?
The InChIKey is RHJIUUOGIBGRPO-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(10-14)7-12(13)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde?
cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 90322673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).