(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane

C10H18O — CID 142025260

IUPAC(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
SMILESCC.CC1=CC[C@H](C)CC1=O
InChIInChI=1S/C8H12O.C2H6/c1-6-3-4-7(2)8(9)5-6;1-2/h4,6H,3,5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyPEAAJKJMFIIXKQ-RGMNGODLSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds

About (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane

(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane (PubChem CID 142025260) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane.

Molecular Properties

Compound Name(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
PubChem CID142025260
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
SMILESCC.CC1=CC[C@H](C)CC1=O
InChIInChI=1S/C8H12O.C2H6/c1-6-3-4-7(2)8(9)5-6;1-2/h4,6H,3,5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyPEAAJKJMFIIXKQ-RGMNGODLSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane?
The IUPAC name of (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane (CID 142025260) is (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane.
What is the SMILES notation for (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane?
The canonical SMILES for (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane is CC.CC1=CC[C@H](C)CC1=O.
What is the InChIKey of (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane?
The InChIKey is PEAAJKJMFIIXKQ-RGMNGODLSA-N. The full InChI is InChI=1S/C8H12O.C2H6/c1-6-3-4-7(2)8(9)5-6;1-2/h4,6H,3,5H2,1-2H3;1-2H3/t6-;/m0./s1.
What are the key properties of (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane?
(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane has a molecular weight of 154.25 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,5-dimethylcyclohex-2-en-1-one;ethane is sourced from PubChem (CID 142025260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).