3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde

C15H22O2 — CID 162881297

IUPAC3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde
SMILESCC(C)C1=CC2=C(C=O)CC(O)CC2(C)CC1
InChIInChI=1S/C15H22O2/c1-10(2)11-4-5-15(3)8-13(17)6-12(9-16)14(15)7-11/h7,9-10,13,17H,4-6,8H2,1-3H3
InChIKeyHKIJSJGUDJGJKU-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds2

About 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde

3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde (PubChem CID 162881297) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde
PubChem CID162881297
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde
SMILESCC(C)C1=CC2=C(C=O)CC(O)CC2(C)CC1
InChIInChI=1S/C15H22O2/c1-10(2)11-4-5-15(3)8-13(17)6-12(9-16)14(15)7-11/h7,9-10,13,17H,4-6,8H2,1-3H3
InChIKeyHKIJSJGUDJGJKU-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
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 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde?
The IUPAC name of 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde (CID 162881297) is 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde is CC(C)C1=CC2=C(C=O)CC(O)CC2(C)CC1.
What is the InChIKey of 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde?
The InChIKey is HKIJSJGUDJGJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)11-4-5-15(3)8-13(17)6-12(9-16)14(15)7-11/h7,9-10,13,17H,4-6,8H2,1-3H3.
What are the key properties of 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde?
3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde has a molecular weight of 234.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 162881297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).