1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde

C15H18O — CID 174770892

IUPAC1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde
SMILESCC1=C2C=CC=CC2C(C)(C=O)C(C)=C1C
InChIInChI=1S/C15H18O/c1-10-11(2)13-7-5-6-8-14(13)15(4,9-16)12(10)3/h5-9,14H,1-4H3
InChIKeyJCMSWXBEVXVQPS-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.60
Rot. Bonds1

About 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde

1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde (PubChem CID 174770892) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde
PubChem CID174770892
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde
SMILESCC1=C2C=CC=CC2C(C)(C=O)C(C)=C1C
InChIInChI=1S/C15H18O/c1-10-11(2)13-7-5-6-8-14(13)15(4,9-16)12(10)3/h5-9,14H,1-4H3
InChIKeyJCMSWXBEVXVQPS-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.60
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 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde?
The IUPAC name of 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde (CID 174770892) is 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde.
What is the SMILES notation for 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde?
The canonical SMILES for 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde is CC1=C2C=CC=CC2C(C)(C=O)C(C)=C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde?
The InChIKey is JCMSWXBEVXVQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-10-11(2)13-7-5-6-8-14(13)15(4,9-16)12(10)3/h5-9,14H,1-4H3.
What are the key properties of 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde?
1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde has a molecular weight of 214.31 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde is sourced from PubChem (CID 174770892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).