2,3,4,4-tetramethylcyclopentane-1-carbaldehyde

C10H18O — CID 74070507

IUPAC2,3,4,4-tetramethylcyclopentane-1-carbaldehyde
SMILESCC1C(C=O)CC(C)(C)C1C
InChIInChI=1S/C10H18O/c1-7-8(2)10(3,4)5-9(7)6-11/h6-9H,5H2,1-4H3
InChIKeyPZYYQUWLDQHHCK-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds1

About 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde

2,3,4,4-tetramethylcyclopentane-1-carbaldehyde (PubChem CID 74070507) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2,3,4,4-tetramethylcyclopentane-1-carbaldehyde
PubChem CID74070507
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,3,4,4-tetramethylcyclopentane-1-carbaldehyde
SMILESCC1C(C=O)CC(C)(C)C1C
InChIInChI=1S/C10H18O/c1-7-8(2)10(3,4)5-9(7)6-11/h6-9H,5H2,1-4H3
InChIKeyPZYYQUWLDQHHCK-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
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 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde?
The IUPAC name of 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde (CID 74070507) is 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde?
The canonical SMILES for 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde is CC1C(C=O)CC(C)(C)C1C.
What is the InChIKey of 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde?
The InChIKey is PZYYQUWLDQHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-8(2)10(3,4)5-9(7)6-11/h6-9H,5H2,1-4H3.
What are the key properties of 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde?
2,3,4,4-tetramethylcyclopentane-1-carbaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 74070507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).