2-cyclopropyl-5-ethylnonan-3-one

C14H26O — CID 114963721

IUPAC2-cyclopropyl-5-ethylnonan-3-one
SMILESCCCCC(CC)CC(=O)C(C)C1CC1
InChIInChI=1S/C14H26O/c1-4-6-7-12(5-2)10-14(15)11(3)13-8-9-13/h11-13H,4-10H2,1-3H3
InChIKeyXMANYZPKDFJNLM-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds8

About 2-cyclopropyl-5-ethylnonan-3-one

2-cyclopropyl-5-ethylnonan-3-one (PubChem CID 114963721) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethylnonan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-5-ethylnonan-3-one
PubChem CID114963721
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-cyclopropyl-5-ethylnonan-3-one
SMILESCCCCC(CC)CC(=O)C(C)C1CC1
InChIInChI=1S/C14H26O/c1-4-6-7-12(5-2)10-14(15)11(3)13-8-9-13/h11-13H,4-10H2,1-3H3
InChIKeyXMANYZPKDFJNLM-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020903
1-amino-6-ethyl-3-methyldecan-4-one
CID 116594762
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
zinc bis(3-ethylheptanoate)
CID 159696376
3-ethyloctanoic acid;neodymium
CID 174650378
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-one
CID 114097291
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
3-ethylheptaneperoxoic acid
CID 54542102
1-cyclopropylpentan-1-ol
CID 551238
1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
CID 119166750

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethylnonan-3-one?
The IUPAC name of 2-cyclopropyl-5-ethylnonan-3-one (CID 114963721) is 2-cyclopropyl-5-ethylnonan-3-one.
What is the SMILES notation for 2-cyclopropyl-5-ethylnonan-3-one?
The canonical SMILES for 2-cyclopropyl-5-ethylnonan-3-one is CCCCC(CC)CC(=O)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-5-ethylnonan-3-one?
The InChIKey is XMANYZPKDFJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-6-7-12(5-2)10-14(15)11(3)13-8-9-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-ethylnonan-3-one?
2-cyclopropyl-5-ethylnonan-3-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethylnonan-3-one is sourced from PubChem (CID 114963721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).