cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one

C14H26O — CID 134987220

IUPACcis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one
SMILESCCCCCC[C@@H]1CC(=O)C[C@@H]1CCC
InChIInChI=1S/C14H26O/c1-3-5-6-7-9-13-11-14(15)10-12(13)8-4-2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyHYJNAUOWNATNTE-QWHCGFSZSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds7

About cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one

cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one (PubChem CID 134987220) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one
PubChem CID134987220
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Namecis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one
SMILESCCCCCC[C@@H]1CC(=O)C[C@@H]1CCC
InChIInChI=1S/C14H26O/c1-3-5-6-7-9-13-11-14(15)10-12(13)8-4-2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyHYJNAUOWNATNTE-QWHCGFSZSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-2-undecylcyclopropane
CID 123636027
2-[(1R,2S)-2-butyl-4-oxocyclopentyl]acetic acid
CID 90987434
2-pentadecylcyclopropan-1-one
CID 70874004
5-tridecylcyclohexane-1,3-dione
CID 71394051
methyl 2-[(1R,2S)-2-butyl-4-oxocyclopentyl]acetate
CID 54441543
4-undecylcyclopentane-1,2-dione
CID 54303237
(4R,5S)-4,5-dibutyloxan-2-one
CID 101419586
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-pentyl-2-propylcyclopentane
CID 549948
4-dodecyloxetan-2-one
CID 90110174
(4R)-4-hexylcyclopentane-1,3-dione
CID 162980596

Frequently Asked Questions

What is the IUPAC name of cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one?
The IUPAC name of cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one (CID 134987220) is cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one.
What is the SMILES notation for cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one?
The canonical SMILES for cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one is CCCCCC[C@@H]1CC(=O)C[C@@H]1CCC.
What is the InChIKey of cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one?
The InChIKey is HYJNAUOWNATNTE-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-6-7-9-13-11-14(15)10-12(13)8-4-2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one?
cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one is sourced from PubChem (CID 134987220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).