6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde

C20H34O — CID 13039671

IUPAC6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
SMILESCCCC1CCC(C2CCC3CC(C=O)CCC3C2)CC1
InChIInChI=1S/C20H34O/c1-2-3-15-4-7-17(8-5-15)19-11-10-18-12-16(14-21)6-9-20(18)13-19/h14-20H,2-13H2,1H3
InChIKeyGFYCVNWJIWSYFZ-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.62
Rot. Bonds4

About 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde

6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde (PubChem CID 13039671) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
PubChem CID13039671
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
SMILESCCCC1CCC(C2CCC3CC(C=O)CCC3C2)CC1
InChIInChI=1S/C20H34O/c1-2-3-15-4-7-17(8-5-15)19-11-10-18-12-16(14-21)6-9-20(18)13-19/h14-20H,2-13H2,1H3
InChIKeyGFYCVNWJIWSYFZ-UHFFFAOYSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.62
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-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The IUPAC name of 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde (CID 13039671) is 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde is CCCC1CCC(C2CCC3CC(C=O)CCC3C2)CC1.
What is the InChIKey of 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The InChIKey is GFYCVNWJIWSYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-2-3-15-4-7-17(8-5-15)19-11-10-18-12-16(14-21)6-9-20(18)13-19/h14-20H,2-13H2,1H3.
What are the key properties of 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde has a molecular weight of 290.49 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 13039671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).