6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde

C20H26O2 — CID 123221272

IUPAC6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde
SMILESCCCC1=CC2=C(C3=C(C=CC(C)C3)C(C)(C)O2)C(C=O)C1
InChIInChI=1S/C20H26O2/c1-5-6-14-10-15(12-21)19-16-9-13(2)7-8-17(16)20(3,4)22-18(19)11-14/h7-8,11-13,15H,5-6,9-10H2,1-4H3
InChIKeyCOUVPPHZYXHAIE-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.89
Rot. Bonds3

About 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde

6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde (PubChem CID 123221272) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde.

Molecular Properties

Compound Name6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde
PubChem CID123221272
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde
SMILESCCCC1=CC2=C(C3=C(C=CC(C)C3)C(C)(C)O2)C(C=O)C1
InChIInChI=1S/C20H26O2/c1-5-6-14-10-15(12-21)19-16-9-13(2)7-8-17(16)20(3,4)22-18(19)11-14/h7-8,11-13,15H,5-6,9-10H2,1-4H3
InChIKeyCOUVPPHZYXHAIE-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde?
The IUPAC name of 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde (CID 123221272) is 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde.
What is the SMILES notation for 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde?
The canonical SMILES for 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde is CCCC1=CC2=C(C3=C(C=CC(C)C3)C(C)(C)O2)C(C=O)C1.
What is the InChIKey of 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde?
The InChIKey is COUVPPHZYXHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-5-6-14-10-15(12-21)19-16-9-13(2)7-8-17(16)20(3,4)22-18(19)11-14/h7-8,11-13,15H,5-6,9-10H2,1-4H3.
What are the key properties of 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde?
6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde has a molecular weight of 298.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9-trimethyl-3-propyl-1,2,9,10-tetrahydrobenzo[c]chromene-1-carbaldehyde is sourced from PubChem (CID 123221272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).