(2S)-2-prop-2-enoxycyclohexan-1-one

C9H14O2 — CID 102054611

IUPAC(2S)-2-prop-2-enoxycyclohexan-1-one
SMILESC=CCO[C@H]1CCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,9H,1,3-7H2/t9-/m0/s1
InChIKeyBOWJVRZZAPONFH-VIFPVBQESA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About (2S)-2-prop-2-enoxycyclohexan-1-one

(2S)-2-prop-2-enoxycyclohexan-1-one (PubChem CID 102054611) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-prop-2-enoxycyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-prop-2-enoxycyclohexan-1-one
PubChem CID102054611
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-2-prop-2-enoxycyclohexan-1-one
SMILESC=CCO[C@H]1CCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,9H,1,3-7H2/t9-/m0/s1
InChIKeyBOWJVRZZAPONFH-VIFPVBQESA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-2-enoxycyclohexan-1-one?
The IUPAC name of (2S)-2-prop-2-enoxycyclohexan-1-one (CID 102054611) is (2S)-2-prop-2-enoxycyclohexan-1-one.
What is the SMILES notation for (2S)-2-prop-2-enoxycyclohexan-1-one?
The canonical SMILES for (2S)-2-prop-2-enoxycyclohexan-1-one is C=CCO[C@H]1CCCCC1=O.
What is the InChIKey of (2S)-2-prop-2-enoxycyclohexan-1-one?
The InChIKey is BOWJVRZZAPONFH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,9H,1,3-7H2/t9-/m0/s1.
What are the key properties of (2S)-2-prop-2-enoxycyclohexan-1-one?
(2S)-2-prop-2-enoxycyclohexan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enoxycyclohexan-1-one is sourced from PubChem (CID 102054611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).