cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde

C24H46O — CID 101227517

IUPACcis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
SMILESCCCCCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C24H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-24(23)22-25/h22-24H,2-21H2,1H3/t23-,24-/m1/s1
InChIKeyBILYKXJZUUFTMO-DNQXCXABSA-N
MW350.63 g/mol
LogP8.25
Rot. Bonds20

About cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde

cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde (PubChem CID 101227517) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
PubChem CID101227517
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Namecis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
SMILESCCCCCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C24H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-24(23)22-25/h22-24H,2-21H2,1H3/t23-,24-/m1/s1
InChIKeyBILYKXJZUUFTMO-DNQXCXABSA-N
XLogP8.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
13-[(1S,2R)-2-icosylcyclopropyl]tridecanal
CID 11295341
3-pentylcyclohexane-1,2-dicarbaldehyde
CID 91238755
methyl (E)-3-[(1R,2R)-2-hexylcyclopropyl]prop-2-enoate
CID 15399679
2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde
CID 143647530
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825
1,4-bis(ethenyl)-2-heptylcyclopentane
CID 140793772
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde (CID 101227517) is cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde is CCCCCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1C=O.
What is the InChIKey of cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde?
The InChIKey is BILYKXJZUUFTMO-DNQXCXABSA-N. The full InChI is InChI=1S/C24H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-24(23)22-25/h22-24H,2-21H2,1H3/t23-,24-/m1/s1.
What are the key properties of cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde has a molecular weight of 350.63 g/mol, XLogP of 8.25, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 101227517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).