4a,8a-dihydronaphthalene-2-carbaldehyde

C11H10O — CID 45083972

IUPAC4a,8a-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=CC2C=CC=CC2C=C1
InChIInChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8,10-11H
InChIKeyGMJKAXZRBKVPCN-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.04
Rot. Bonds1

About 4a,8a-dihydronaphthalene-2-carbaldehyde

4a,8a-dihydronaphthalene-2-carbaldehyde (PubChem CID 45083972) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 4a,8a-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4a,8a-dihydronaphthalene-2-carbaldehyde
PubChem CID45083972
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name4a,8a-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=CC2C=CC=CC2C=C1
InChIInChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8,10-11H
InChIKeyGMJKAXZRBKVPCN-UHFFFAOYSA-N
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.04
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 4a,8a-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 4a,8a-dihydronaphthalene-2-carbaldehyde (CID 45083972) is 4a,8a-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 4a,8a-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 4a,8a-dihydronaphthalene-2-carbaldehyde is O=CC1=CC2C=CC=CC2C=C1.
What is the InChIKey of 4a,8a-dihydronaphthalene-2-carbaldehyde?
The InChIKey is GMJKAXZRBKVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8,10-11H.
What are the key properties of 4a,8a-dihydronaphthalene-2-carbaldehyde?
4a,8a-dihydronaphthalene-2-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 45083972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).