1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde

C11H18O2 — CID 57184161

IUPAC1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
SMILESO=CC1CCC2CCCCC2C1O
InChIInChI=1S/C11H18O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h7-11,13H,1-6H2
InChIKeyIBTINQKCJYZRGV-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.76
Rot. Bonds1

About 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde

1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde (PubChem CID 57184161) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
PubChem CID57184161
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
SMILESO=CC1CCC2CCCCC2C1O
InChIInChI=1S/C11H18O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h7-11,13H,1-6H2
InChIKeyIBTINQKCJYZRGV-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.76
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 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The IUPAC name of 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde (CID 57184161) is 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde is O=CC1CCC2CCCCC2C1O.
What is the InChIKey of 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The InChIKey is IBTINQKCJYZRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h7-11,13H,1-6H2.
What are the key properties of 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 57184161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).