4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde

C10H14O — CID 526762

IUPAC4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)C1=CC=C(C=O)CC1
InChIInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMKVBITWQDIIUMF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds2

About 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde

4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 526762) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID526762
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)C1=CC=C(C=O)CC1
InChIInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMKVBITWQDIIUMF-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
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 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde (CID 526762) is 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde is CC(C)C1=CC=C(C=O)CC1.
What is the InChIKey of 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is MKVBITWQDIIUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 526762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).