4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde

C16H22O — CID 14446259

IUPAC4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCc1cc(C=O)cc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C16H22O/c1-11-8-12(10-17)9-13-14(11)16(4,5)7-6-15(13,2)3/h8-10H,6-7H2,1-5H3
InChIKeyKXSQLFHQZIJARU-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.16
Rot. Bonds1

About 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde

4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde (PubChem CID 14446259) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
PubChem CID14446259
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCc1cc(C=O)cc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C16H22O/c1-11-8-12(10-17)9-13-14(11)16(4,5)7-6-15(13,2)3/h8-10H,6-7H2,1-5H3
InChIKeyKXSQLFHQZIJARU-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.16
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 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde (CID 14446259) is 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde is Cc1cc(C=O)cc2c1C(C)(C)CCC2(C)C.
What is the InChIKey of 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The InChIKey is KXSQLFHQZIJARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11-8-12(10-17)9-13-14(11)16(4,5)7-6-15(13,2)3/h8-10H,6-7H2,1-5H3.
What are the key properties of 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde has a molecular weight of 230.35 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 14446259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).