2-(2-cyclopropylethyl)hexanal

C11H20O — CID 151203112

IUPAC2-(2-cyclopropylethyl)hexanal
SMILESCCCCC(C=O)CCC1CC1
InChIInChI=1S/C11H20O/c1-2-3-4-11(9-12)8-7-10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyNISGUQBIOGAQKV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds7

About 2-(2-cyclopropylethyl)hexanal

2-(2-cyclopropylethyl)hexanal (PubChem CID 151203112) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)hexanal.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)hexanal
PubChem CID151203112
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2-cyclopropylethyl)hexanal
SMILESCCCCC(C=O)CCC1CC1
InChIInChI=1S/C11H20O/c1-2-3-4-11(9-12)8-7-10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyNISGUQBIOGAQKV-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
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

2-ethylhexanal;methane
CID 139299505
2-ethylhexanal;phosphane
CID 174518467
2-(sulfanylmethyl)hexanal
CID 527437
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
2-(2,2-diethoxyethyl)hexanal
CID 121007573
2-ethylheptadecanal
CID 18629573
2-undecylpentadecanedial
CID 91207185
2-(2-chloroethyl)decanal
CID 175197412
2-(6-chlorohexyl)dodecanal
CID 175197438
1,4-dipropylcyclohexane;pentane
CID 90867354
hexane;pentylcyclopropane
CID 159592467
(7-methyl-3-propylundecyl)cyclopropane
CID 123743915

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)hexanal?
The IUPAC name of 2-(2-cyclopropylethyl)hexanal (CID 151203112) is 2-(2-cyclopropylethyl)hexanal.
What is the SMILES notation for 2-(2-cyclopropylethyl)hexanal?
The canonical SMILES for 2-(2-cyclopropylethyl)hexanal is CCCCC(C=O)CCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethyl)hexanal?
The InChIKey is NISGUQBIOGAQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-11(9-12)8-7-10-5-6-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-(2-cyclopropylethyl)hexanal?
2-(2-cyclopropylethyl)hexanal has a molecular weight of 168.28 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)hexanal is sourced from PubChem (CID 151203112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).