4-methyl-7-propan-2-ylazulene-1-carbaldehyde

C15H16O — CID 11117364

IUPAC4-methyl-7-propan-2-ylazulene-1-carbaldehyde
SMILESCc1ccc(C(C)C)cc2c(C=O)ccc1-2
InChIInChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-10H,1-3H3
InChIKeyVAMFCHMEVQNLHP-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.04
Rot. Bonds2

About 4-methyl-7-propan-2-ylazulene-1-carbaldehyde

4-methyl-7-propan-2-ylazulene-1-carbaldehyde (PubChem CID 11117364) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-methyl-7-propan-2-ylazulene-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-7-propan-2-ylazulene-1-carbaldehyde
PubChem CID11117364
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name4-methyl-7-propan-2-ylazulene-1-carbaldehyde
SMILESCc1ccc(C(C)C)cc2c(C=O)ccc1-2
InChIInChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-10H,1-3H3
InChIKeyVAMFCHMEVQNLHP-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.04
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 4-methyl-7-propan-2-ylazulene-1-carbaldehyde?
The IUPAC name of 4-methyl-7-propan-2-ylazulene-1-carbaldehyde (CID 11117364) is 4-methyl-7-propan-2-ylazulene-1-carbaldehyde.
What is the SMILES notation for 4-methyl-7-propan-2-ylazulene-1-carbaldehyde?
The canonical SMILES for 4-methyl-7-propan-2-ylazulene-1-carbaldehyde is Cc1ccc(C(C)C)cc2c(C=O)ccc1-2.
What is the InChIKey of 4-methyl-7-propan-2-ylazulene-1-carbaldehyde?
The InChIKey is VAMFCHMEVQNLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-10H,1-3H3.
What are the key properties of 4-methyl-7-propan-2-ylazulene-1-carbaldehyde?
4-methyl-7-propan-2-ylazulene-1-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propan-2-ylazulene-1-carbaldehyde is sourced from PubChem (CID 11117364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).