6-phenyl-2,3-dipropylhexanal

C18H28O — CID 10682794

IUPAC6-phenyl-2,3-dipropylhexanal
SMILESCCCC(C=O)C(CCC)CCCc1ccccc1
InChIInChI=1S/C18H28O/c1-3-9-17(18(15-19)10-4-2)14-8-13-16-11-6-5-7-12-16/h5-7,11-12,15,17-18H,3-4,8-10,13-14H2,1-2H3
InChIKeyWTWCLDFSTRIDOE-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.04
Rot. Bonds10

About 6-phenyl-2,3-dipropylhexanal

6-phenyl-2,3-dipropylhexanal (PubChem CID 10682794) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 6-phenyl-2,3-dipropylhexanal.

Molecular Properties

Compound Name6-phenyl-2,3-dipropylhexanal
PubChem CID10682794
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name6-phenyl-2,3-dipropylhexanal
SMILESCCCC(C=O)C(CCC)CCCc1ccccc1
InChIInChI=1S/C18H28O/c1-3-9-17(18(15-19)10-4-2)14-8-13-16-11-6-5-7-12-16/h5-7,11-12,15,17-18H,3-4,8-10,13-14H2,1-2H3
InChIKeyWTWCLDFSTRIDOE-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.04
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

(2R,3S)-3-(nitromethyl)-5-phenyl-2-propylpentanal
CID 87161685
2-bromo-5-phenylpentanal
CID 121216418
5-phenyl-2-propan-2-yl-N-propylpentan-1-amine
CID 63522931
1-phenyloctan-4-amine
CID 79413314
formamide;hexadecylbenzene;propane
CID 162756092
3-(phenylmethoxymethyl)-2-propylpent-4-enal
CID 86086944
ethane;ethylbenzene;2-propylpentanal
CID 142003951
butylbenzene;2,2,2-trichloroacetaldehyde
CID 161490211
butylbenzene;carbonic acid
CID 158278492
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
N-(2-methylpropyl)-5-phenyl-2-propan-2-ylpentan-1-amine
CID 63523122

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2,3-dipropylhexanal?
The IUPAC name of 6-phenyl-2,3-dipropylhexanal (CID 10682794) is 6-phenyl-2,3-dipropylhexanal.
What is the SMILES notation for 6-phenyl-2,3-dipropylhexanal?
The canonical SMILES for 6-phenyl-2,3-dipropylhexanal is CCCC(C=O)C(CCC)CCCc1ccccc1.
What is the InChIKey of 6-phenyl-2,3-dipropylhexanal?
The InChIKey is WTWCLDFSTRIDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-9-17(18(15-19)10-4-2)14-8-13-16-11-6-5-7-12-16/h5-7,11-12,15,17-18H,3-4,8-10,13-14H2,1-2H3.
What are the key properties of 6-phenyl-2,3-dipropylhexanal?
6-phenyl-2,3-dipropylhexanal has a molecular weight of 260.42 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2,3-dipropylhexanal is sourced from PubChem (CID 10682794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).