(4S)-3,4-dipropylcyclohex-2-en-1-one

C12H20O — CID 155930761

IUPAC(4S)-3,4-dipropylcyclohex-2-en-1-one
SMILESCCCC1=CC(=O)CC[C@@H]1CCC
InChIInChI=1S/C12H20O/c1-3-5-10-7-8-12(13)9-11(10)6-4-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyUKESIXOWRGMIDD-JTQLQIEISA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds4

About (4S)-3,4-dipropylcyclohex-2-en-1-one

(4S)-3,4-dipropylcyclohex-2-en-1-one (PubChem CID 155930761) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (4S)-3,4-dipropylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-3,4-dipropylcyclohex-2-en-1-one
PubChem CID155930761
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(4S)-3,4-dipropylcyclohex-2-en-1-one
SMILESCCCC1=CC(=O)CC[C@@H]1CCC
InChIInChI=1S/C12H20O/c1-3-5-10-7-8-12(13)9-11(10)6-4-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyUKESIXOWRGMIDD-JTQLQIEISA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 151956765
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CID 71120795
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
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2-propyl-3,4-dihydro-2H-naphthalen-1-one
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ethyl (1S)-2-hexyl-4-oxocyclohex-2-ene-1-carboxylate
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3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one
CID 101043962
ethylbenzene;3-propylcyclopentane-1,2-dione
CID 162740735
6-methyl-5-propylpiperidin-2-one
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3-(4-phenylcyclohexyl)-6-propylcyclohex-2-en-1-one
CID 71357428
2-(dimethylaminomethylidene)-5-propylcyclopentan-1-one
CID 126749420
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Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dipropylcyclohex-2-en-1-one?
The IUPAC name of (4S)-3,4-dipropylcyclohex-2-en-1-one (CID 155930761) is (4S)-3,4-dipropylcyclohex-2-en-1-one.
What is the SMILES notation for (4S)-3,4-dipropylcyclohex-2-en-1-one?
The canonical SMILES for (4S)-3,4-dipropylcyclohex-2-en-1-one is CCCC1=CC(=O)CC[C@@H]1CCC.
What is the InChIKey of (4S)-3,4-dipropylcyclohex-2-en-1-one?
The InChIKey is UKESIXOWRGMIDD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-10-7-8-12(13)9-11(10)6-4-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4S)-3,4-dipropylcyclohex-2-en-1-one?
(4S)-3,4-dipropylcyclohex-2-en-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dipropylcyclohex-2-en-1-one is sourced from PubChem (CID 155930761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).