2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one

C14H26O2 — CID 65181031

IUPAC2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one
SMILESCCOCCCC1CC(C(C)C)CCC1=O
InChIInChI=1S/C14H26O2/c1-4-16-9-5-6-13-10-12(11(2)3)7-8-14(13)15/h11-13H,4-10H2,1-3H3
InChIKeyPCPHHCIIOLAWID-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds6

About 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one

2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one (PubChem CID 65181031) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one
PubChem CID65181031
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one
SMILESCCOCCCC1CC(C(C)C)CCC1=O
InChIInChI=1S/C14H26O2/c1-4-16-9-5-6-13-10-12(11(2)3)7-8-14(13)15/h11-13H,4-10H2,1-3H3
InChIKeyPCPHHCIIOLAWID-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 160641
CID 160641
CID 12666966
CID 12666966
CID 11041742
CID 11041742
CID 317753
CID 317753
CID 57465910
CID 57465910
CID 57829016
CID 57829016
CID 86775525
CID 86775525
CID 126481329
CID 126481329
CID 145856801
CID 145856801
CID 566631
CID 566631
CID 143533
CID 143533
CID 61412917
CID 61412917

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one (CID 65181031) is 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one is CCOCCCC1CC(C(C)C)CCC1=O.
What is the InChIKey of 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one?
The InChIKey is PCPHHCIIOLAWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-16-9-5-6-13-10-12(11(2)3)7-8-14(13)15/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one?
2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 65181031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).