(5R)-6-methyl-2,5-dipropyloctanal

C15H30O — CID 143527461

IUPAC(5R)-6-methyl-2,5-dipropyloctanal
SMILESCCCC(C=O)CCC(CCC)C(C)CC
InChIInChI=1S/C15H30O/c1-5-8-14(12-16)10-11-15(9-6-2)13(4)7-3/h12-15H,5-11H2,1-4H3
InChIKeyIDPQAFUGSPBCGZ-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds10

About (5R)-6-methyl-2,5-dipropyloctanal

(5R)-6-methyl-2,5-dipropyloctanal (PubChem CID 143527461) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (5R)-6-methyl-2,5-dipropyloctanal.

Molecular Properties

Compound Name(5R)-6-methyl-2,5-dipropyloctanal
PubChem CID143527461
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(5R)-6-methyl-2,5-dipropyloctanal
SMILESCCCC(C=O)CCC(CCC)C(C)CC
InChIInChI=1S/C15H30O/c1-5-8-14(12-16)10-11-15(9-6-2)13(4)7-3/h12-15H,5-11H2,1-4H3
InChIKeyIDPQAFUGSPBCGZ-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-ethylpentanal
CID 71368973
2-propylpentanedial
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(2R)-2-propyl-5-pyrrolidin-1-ylhexanal
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9-ethyl-3,8-dimethyl-4-propyldodecane
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4,5-diethyloctane
CID 519254
(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal
CID 101236071
3-formylhexyl acetate
CID 88900072
7-butan-2-yl-4-propylundecane
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2-ethylpentanal;5-methylhexanal
CID 23315878
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CID 142003951

Frequently Asked Questions

What is the IUPAC name of (5R)-6-methyl-2,5-dipropyloctanal?
The IUPAC name of (5R)-6-methyl-2,5-dipropyloctanal (CID 143527461) is (5R)-6-methyl-2,5-dipropyloctanal.
What is the SMILES notation for (5R)-6-methyl-2,5-dipropyloctanal?
The canonical SMILES for (5R)-6-methyl-2,5-dipropyloctanal is CCCC(C=O)CCC(CCC)C(C)CC.
What is the InChIKey of (5R)-6-methyl-2,5-dipropyloctanal?
The InChIKey is IDPQAFUGSPBCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-8-14(12-16)10-11-15(9-6-2)13(4)7-3/h12-15H,5-11H2,1-4H3.
What are the key properties of (5R)-6-methyl-2,5-dipropyloctanal?
(5R)-6-methyl-2,5-dipropyloctanal has a molecular weight of 226.40 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-methyl-2,5-dipropyloctanal is sourced from PubChem (CID 143527461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).