1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde

C9H14O2 — CID 87257519

IUPAC1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde
SMILESCC(C)(C=O)CC1(C=O)CC1
InChIInChI=1S/C9H14O2/c1-8(2,6-10)5-9(7-11)3-4-9/h6-7H,3-5H2,1-2H3
InChIKeyNHDBZZBKIGHSGD-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.58
Rot. Bonds4

About 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde

1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde (PubChem CID 87257519) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde
PubChem CID87257519
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde
SMILESCC(C)(C=O)CC1(C=O)CC1
InChIInChI=1S/C9H14O2/c1-8(2,6-10)5-9(7-11)3-4-9/h6-7H,3-5H2,1-2H3
InChIKeyNHDBZZBKIGHSGD-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde (CID 87257519) is 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde is CC(C)(C=O)CC1(C=O)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde?
The InChIKey is NHDBZZBKIGHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(2,6-10)5-9(7-11)3-4-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde?
1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 87257519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).