(2R)-2-ethylcyclohept-4-en-1-one

C9H14O — CID 12064651

IUPAC(2R)-2-ethylcyclohept-4-en-1-one
SMILESCC[C@@H]1CC=CCCC1=O
InChIInChI=1S/C9H14O/c1-2-8-6-4-3-5-7-9(8)10/h3-4,8H,2,5-7H2,1H3/t8-/m1/s1
InChIKeyFLIFEJSHLDEYSH-MRVPVSSYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds1

About (2R)-2-ethylcyclohept-4-en-1-one

(2R)-2-ethylcyclohept-4-en-1-one (PubChem CID 12064651) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2R)-2-ethylcyclohept-4-en-1-one.

Molecular Properties

Compound Name(2R)-2-ethylcyclohept-4-en-1-one
PubChem CID12064651
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2R)-2-ethylcyclohept-4-en-1-one
SMILESCC[C@@H]1CC=CCCC1=O
InChIInChI=1S/C9H14O/c1-2-8-6-4-3-5-7-9(8)10/h3-4,8H,2,5-7H2,1H3/t8-/m1/s1
InChIKeyFLIFEJSHLDEYSH-MRVPVSSYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 534566
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2,6-diethylcyclohex-3-en-1-one
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3-ethylcyclopentadec-5-en-1-one
CID 172791519
(4Z)-2-butyl-2,3,6,7-tetrahydrooxocin-8-one
CID 101251171
2-methylcyclododeca-4,8-dien-1-one
CID 123493270
2-ethylcyclodecane-1,6-dione
CID 141347956
(4Z)-8-chlorocyclooct-4-en-1-one
CID 11019145
(5E,8E,11E)-14-propyl-1-oxacyclotetradeca-5,8,11-trien-2-one
CID 165161786
(4Z)-2-methylcyclopentadec-4-en-1-one
CID 12861299
4-ethyl-2,3,4,5-tetrahydro-1H-indene
CID 142348465
2-ethylcyclohexan-1-one;formic acid
CID 137364111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethylcyclohept-4-en-1-one?
The IUPAC name of (2R)-2-ethylcyclohept-4-en-1-one (CID 12064651) is (2R)-2-ethylcyclohept-4-en-1-one.
What is the SMILES notation for (2R)-2-ethylcyclohept-4-en-1-one?
The canonical SMILES for (2R)-2-ethylcyclohept-4-en-1-one is CC[C@@H]1CC=CCCC1=O.
What is the InChIKey of (2R)-2-ethylcyclohept-4-en-1-one?
The InChIKey is FLIFEJSHLDEYSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-8-6-4-3-5-7-9(8)10/h3-4,8H,2,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-ethylcyclohept-4-en-1-one?
(2R)-2-ethylcyclohept-4-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylcyclohept-4-en-1-one is sourced from PubChem (CID 12064651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).