1-cycloheptyl-1-ethoxypentan-2-one

C14H26O2 — CID 83226001

IUPAC1-cycloheptyl-1-ethoxypentan-2-one
SMILESCCCC(=O)C(OCC)C1CCCCCC1
InChIInChI=1S/C14H26O2/c1-3-9-13(15)14(16-4-2)12-10-7-5-6-8-11-12/h12,14H,3-11H2,1-2H3
InChIKeyFCOXTOOJKNQBRE-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds6

About 1-cycloheptyl-1-ethoxypentan-2-one

1-cycloheptyl-1-ethoxypentan-2-one (PubChem CID 83226001) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cycloheptyl-1-ethoxypentan-2-one.

Molecular Properties

Compound Name1-cycloheptyl-1-ethoxypentan-2-one
PubChem CID83226001
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-cycloheptyl-1-ethoxypentan-2-one
SMILESCCCC(=O)C(OCC)C1CCCCCC1
InChIInChI=1S/C14H26O2/c1-3-9-13(15)14(16-4-2)12-10-7-5-6-8-11-12/h12,14H,3-11H2,1-2H3
InChIKeyFCOXTOOJKNQBRE-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-ethoxyheptan-2-one
CID 116709315
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one
CID 116751188
1-cyclohex-3-en-1-yl-1-ethoxypentan-2-one
CID 83225395
2-methylhexan-3-one;propan-2-ylcyclohexane
CID 166117967
1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone
CID 116709413
ethyl 2-(2-cyclohexyl-2-ethoxyacetyl)pentanoate
CID 116775042
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619
1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116751239
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
3-(2-bicyclo[2.2.1]heptanyl)-1-cyclohexyl-1-ethoxypropan-2-one
CID 116751322
1-cyclohexyl-1-propoxypropan-2-one
CID 83224965

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-ethoxypentan-2-one?
The IUPAC name of 1-cycloheptyl-1-ethoxypentan-2-one (CID 83226001) is 1-cycloheptyl-1-ethoxypentan-2-one.
What is the SMILES notation for 1-cycloheptyl-1-ethoxypentan-2-one?
The canonical SMILES for 1-cycloheptyl-1-ethoxypentan-2-one is CCCC(=O)C(OCC)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-ethoxypentan-2-one?
The InChIKey is FCOXTOOJKNQBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-9-13(15)14(16-4-2)12-10-7-5-6-8-11-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-cycloheptyl-1-ethoxypentan-2-one?
1-cycloheptyl-1-ethoxypentan-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-ethoxypentan-2-one is sourced from PubChem (CID 83226001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).