(2R)-2-(1-phenylethenyl)-2-propyloctanal

C19H28O — CID 122215239

IUPAC(2R)-2-(1-phenylethenyl)-2-propyloctanal
SMILESC=C(c1ccccc1)[C@@](C=O)(CCC)CCCCCC
InChIInChI=1S/C19H28O/c1-4-6-7-11-15-19(16-20,14-5-2)17(3)18-12-9-8-10-13-18/h8-10,12-13,16H,3-7,11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyWTTBZMOUMNPNRB-IBGZPJMESA-N
MW272.43 g/mol
LogP5.66
Rot. Bonds10

About (2R)-2-(1-phenylethenyl)-2-propyloctanal

(2R)-2-(1-phenylethenyl)-2-propyloctanal (PubChem CID 122215239) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (2R)-2-(1-phenylethenyl)-2-propyloctanal.

Molecular Properties

Compound Name(2R)-2-(1-phenylethenyl)-2-propyloctanal
PubChem CID122215239
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(2R)-2-(1-phenylethenyl)-2-propyloctanal
SMILESC=C(c1ccccc1)[C@@](C=O)(CCC)CCCCCC
InChIInChI=1S/C19H28O/c1-4-6-7-11-15-19(16-20,14-5-2)17(3)18-12-9-8-10-13-18/h8-10,12-13,16H,3-7,11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyWTTBZMOUMNPNRB-IBGZPJMESA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.66
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

2-methyl-2-phenylicosanal
CID 174730762
benzyl 2-formyl-13-oxo-2-undecyltridecanoate
CID 174337403
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
2,2-diamino-1-phenyldecan-1-one
CID 67896103
N-(5-methyldodecan-5-yl)benzamide
CID 130355979
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621
benzoic acid;tridecan-1-ol
CID 67710151
N-decylidenebenzamide
CID 90984528
2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal
CID 177499840
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
benzoic acid;tetradecylphosphane
CID 175118977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-phenylethenyl)-2-propyloctanal?
The IUPAC name of (2R)-2-(1-phenylethenyl)-2-propyloctanal (CID 122215239) is (2R)-2-(1-phenylethenyl)-2-propyloctanal.
What is the SMILES notation for (2R)-2-(1-phenylethenyl)-2-propyloctanal?
The canonical SMILES for (2R)-2-(1-phenylethenyl)-2-propyloctanal is C=C(c1ccccc1)[C@@](C=O)(CCC)CCCCCC.
What is the InChIKey of (2R)-2-(1-phenylethenyl)-2-propyloctanal?
The InChIKey is WTTBZMOUMNPNRB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28O/c1-4-6-7-11-15-19(16-20,14-5-2)17(3)18-12-9-8-10-13-18/h8-10,12-13,16H,3-7,11,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-2-(1-phenylethenyl)-2-propyloctanal?
(2R)-2-(1-phenylethenyl)-2-propyloctanal has a molecular weight of 272.43 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-phenylethenyl)-2-propyloctanal is sourced from PubChem (CID 122215239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).