6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde

C15H18O — CID 174657806

IUPAC6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde
SMILESC=Cc1ccc2c(c1)C(C)(C)CCC2C=O
InChIInChI=1S/C15H18O/c1-4-11-5-6-13-12(10-16)7-8-15(2,3)14(13)9-11/h4-6,9-10,12H,1,7-8H2,2-3H3
InChIKeyWUFHDNHHOCFSSQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds2

About 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde

6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde (PubChem CID 174657806) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde
PubChem CID174657806
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde
SMILESC=Cc1ccc2c(c1)C(C)(C)CCC2C=O
InChIInChI=1S/C15H18O/c1-4-11-5-6-13-12(10-16)7-8-15(2,3)14(13)9-11/h4-6,9-10,12H,1,7-8H2,2-3H3
InChIKeyWUFHDNHHOCFSSQ-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.68
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 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The IUPAC name of 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde (CID 174657806) is 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The canonical SMILES for 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde is C=Cc1ccc2c(c1)C(C)(C)CCC2C=O.
What is the InChIKey of 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The InChIKey is WUFHDNHHOCFSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-4-11-5-6-13-12(10-16)7-8-15(2,3)14(13)9-11/h4-6,9-10,12H,1,7-8H2,2-3H3.
What are the key properties of 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde has a molecular weight of 214.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 174657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).