formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde

C11H18O2 — CID 87279246

IUPACformaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
SMILESC=O.CC(C)=CCC1(CC=O)CC1
InChIInChI=1S/C10H16O.CH2O/c1-9(2)3-4-10(5-6-10)7-8-11;1-2/h3,8H,4-7H2,1-2H3;1H2
InChIKeyLGLURUZRLQBOOB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.53
Rot. Bonds4

About formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde

formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde (PubChem CID 87279246) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde.

Molecular Properties

Compound Nameformaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
PubChem CID87279246
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameformaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
SMILESC=O.CC(C)=CCC1(CC=O)CC1
InChIInChI=1S/C10H16O.CH2O/c1-9(2)3-4-10(5-6-10)7-8-11;1-2/h3,8H,4-7H2,1-2H3;1H2
InChIKeyLGLURUZRLQBOOB-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde?
The IUPAC name of formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde (CID 87279246) is formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde.
What is the SMILES notation for formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde?
The canonical SMILES for formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde is C=O.CC(C)=CCC1(CC=O)CC1.
What is the InChIKey of formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde?
The InChIKey is LGLURUZRLQBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.CH2O/c1-9(2)3-4-10(5-6-10)7-8-11;1-2/h3,8H,4-7H2,1-2H3;1H2.
What are the key properties of formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde?
formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde is sourced from PubChem (CID 87279246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).