6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde

C14H16O2 — CID 24859827

IUPAC6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2=CC=C(C=O)C(C)(C)C2)o1
InChIInChI=1S/C14H16O2/c1-10-4-7-13(16-10)11-5-6-12(9-15)14(2,3)8-11/h4-7,9H,8H2,1-3H3
InChIKeyHKBJWEWXJRDDNS-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.53
Rot. Bonds2

About 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde

6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859827) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859827
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2=CC=C(C=O)C(C)(C)C2)o1
InChIInChI=1S/C14H16O2/c1-10-4-7-13(16-10)11-5-6-12(9-15)14(2,3)8-11/h4-7,9H,8H2,1-3H3
InChIKeyHKBJWEWXJRDDNS-UHFFFAOYSA-N
XLogP3.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.53
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-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde (CID 24859827) is 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde is Cc1ccc(C2=CC=C(C=O)C(C)(C)C2)o1.
What is the InChIKey of 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is HKBJWEWXJRDDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-4-7-13(16-10)11-5-6-12(9-15)14(2,3)8-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).