(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one

C10H16O — CID 6432475

IUPAC(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CC[C@H](C(C)C)CC1=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1
InChIKeyWPGPCDVQHXOMQP-VIFPVBQESA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one

(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one (PubChem CID 6432475) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
PubChem CID6432475
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CC[C@H](C(C)C)CC1=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1
InChIKeyWPGPCDVQHXOMQP-VIFPVBQESA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one (CID 6432475) is (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one is CC1=CC[C@H](C(C)C)CC1=O.
What is the InChIKey of (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is WPGPCDVQHXOMQP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 6432475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).