1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde

C16H22O — CID 87732171

IUPAC1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde
SMILESCCCC1(CCC)CC1(C=O)c1ccccc1
InChIInChI=1S/C16H22O/c1-3-10-15(11-4-2)12-16(15,13-17)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyQRXYZPNNRVQNJV-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.11
Rot. Bonds6

About 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde

1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde (PubChem CID 87732171) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde
PubChem CID87732171
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde
SMILESCCCC1(CCC)CC1(C=O)c1ccccc1
InChIInChI=1S/C16H22O/c1-3-10-15(11-4-2)12-16(15,13-17)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyQRXYZPNNRVQNJV-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde (CID 87732171) is 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde is CCCC1(CCC)CC1(C=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde?
The InChIKey is QRXYZPNNRVQNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-10-15(11-4-2)12-16(15,13-17)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde?
1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde has a molecular weight of 230.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 87732171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).