(5R)-5-(4-methylcyclohexyl)octanal

C15H28O — CID 118900354

IUPAC(5R)-5-(4-methylcyclohexyl)octanal
SMILESCCC[C@H](CCCC=O)C1CCC(C)CC1
InChIInChI=1S/C15H28O/c1-3-6-14(7-4-5-12-16)15-10-8-13(2)9-11-15/h12-15H,3-11H2,1-2H3/t13?,14-,15?/m1/s1
InChIKeyKJOUKBYCGVMFEJ-SHARSMKWSA-N
MW224.39 g/mol
LogP4.60
Rot. Bonds7

About (5R)-5-(4-methylcyclohexyl)octanal

(5R)-5-(4-methylcyclohexyl)octanal (PubChem CID 118900354) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (5R)-5-(4-methylcyclohexyl)octanal.

Molecular Properties

Compound Name(5R)-5-(4-methylcyclohexyl)octanal
PubChem CID118900354
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(5R)-5-(4-methylcyclohexyl)octanal
SMILESCCC[C@H](CCCC=O)C1CCC(C)CC1
InChIInChI=1S/C15H28O/c1-3-6-14(7-4-5-12-16)15-10-8-13(2)9-11-15/h12-15H,3-11H2,1-2H3/t13?,14-,15?/m1/s1
InChIKeyKJOUKBYCGVMFEJ-SHARSMKWSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
5-hydroxyoctanal
CID 54248840
magnesium;hydride;5-propyloctanal
CID 173415253
4-octan-4-ylpiperidine
CID 143122305
3-(4-methylcyclohexyl)butanal
CID 21290463
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
1-decan-4-yl-4-(4-iodocyclohexyl)cyclohexane
CID 121463193
8-octan-4-yl-1,5-dioxecane-2,4-dione
CID 174706332
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
4-cyclopropylheptadecanoic acid
CID 68637833
2-cyclopropylheptylcyclohexane
CID 57268487

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methylcyclohexyl)octanal?
The IUPAC name of (5R)-5-(4-methylcyclohexyl)octanal (CID 118900354) is (5R)-5-(4-methylcyclohexyl)octanal.
What is the SMILES notation for (5R)-5-(4-methylcyclohexyl)octanal?
The canonical SMILES for (5R)-5-(4-methylcyclohexyl)octanal is CCC[C@H](CCCC=O)C1CCC(C)CC1.
What is the InChIKey of (5R)-5-(4-methylcyclohexyl)octanal?
The InChIKey is KJOUKBYCGVMFEJ-SHARSMKWSA-N. The full InChI is InChI=1S/C15H28O/c1-3-6-14(7-4-5-12-16)15-10-8-13(2)9-11-15/h12-15H,3-11H2,1-2H3/t13?,14-,15?/m1/s1.
What are the key properties of (5R)-5-(4-methylcyclohexyl)octanal?
(5R)-5-(4-methylcyclohexyl)octanal has a molecular weight of 224.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methylcyclohexyl)octanal is sourced from PubChem (CID 118900354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).