1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone

C10H16O2 — CID 115782968

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CC2CC2C1
InChIInChI=1S/C10H16O2/c1-2-12-6-10(11)9-4-7-3-8(7)5-9/h7-9H,2-6H2,1H3
InChIKeyKHGYONLSFCMHLL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone

1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone (PubChem CID 115782968) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone
PubChem CID115782968
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CC2CC2C1
InChIInChI=1S/C10H16O2/c1-2-12-6-10(11)9-4-7-3-8(7)5-9/h7-9H,2-6H2,1H3
InChIKeyKHGYONLSFCMHLL-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminocyclobutyl)-2-ethoxyethanone
CID 165469777
4-(2-ethoxyacetyl)cyclohexan-1-one
CID 58999626
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-one
CID 114969082
magnesium;1-ethoxypropan-2-one;hydride
CID 173062640
1-ethoxy-3-(methylamino)propan-2-one
CID 116553693
2-ethoxy-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572449
2-ethoxyacetic acid
CID 159744705
1-(3-bicyclo[3.1.0]hexanyl)-2-ethylbutan-1-one
CID 115785579
2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethanone
CID 115385987
2-ethoxy-1-(thian-2-yl)ethanone
CID 80622426
1-(1,4-dioxan-2-yl)-2-ethoxyethanone
CID 115278581

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone (CID 115782968) is 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone is CCOCC(=O)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone?
The InChIKey is KHGYONLSFCMHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-12-6-10(11)9-4-7-3-8(7)5-9/h7-9H,2-6H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone?
1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone has a molecular weight of 168.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-ethoxyethanone is sourced from PubChem (CID 115782968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).