propan-2-yl 10-(2-hexylcyclopropyl)decanoate

C22H42O2 — CID 91692516

IUPACpropan-2-yl 10-(2-hexylcyclopropyl)decanoate
SMILESCCCCCCC1CC1CCCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C22H42O2/c1-4-5-6-12-15-20-18-21(20)16-13-10-8-7-9-11-14-17-22(23)24-19(2)3/h19-21H,4-18H2,1-3H3
InChIKeyJFKKICMLQZDMCN-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.06
Rot. Bonds16

About propan-2-yl 10-(2-hexylcyclopropyl)decanoate

propan-2-yl 10-(2-hexylcyclopropyl)decanoate (PubChem CID 91692516) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is propan-2-yl 10-(2-hexylcyclopropyl)decanoate.

Molecular Properties

Compound Namepropan-2-yl 10-(2-hexylcyclopropyl)decanoate
PubChem CID91692516
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Namepropan-2-yl 10-(2-hexylcyclopropyl)decanoate
SMILESCCCCCCC1CC1CCCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C22H42O2/c1-4-5-6-12-15-20-18-21(20)16-13-10-8-7-9-11-14-17-22(23)24-19(2)3/h19-21H,4-18H2,1-3H3
InChIKeyJFKKICMLQZDMCN-UHFFFAOYSA-N
XLogP7.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl undecanoate
CID 3016538
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
methyl 5-(2-undecylcyclopropyl)pentanoate
CID 534438
propan-2-yl 7-[(1R,2S)-2-hexyl-5-oxocyclopentyl]heptanoate
CID 22797039
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110
dodecan-1-ol;propan-2-yl tetradecanoate
CID 88656625
hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
methyl 11-(2-propylcyclopropyl)undecanoate
CID 11414874
propan-2-yl (Z)-tetradec-6-enoate
CID 139925977

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 10-(2-hexylcyclopropyl)decanoate?
The IUPAC name of propan-2-yl 10-(2-hexylcyclopropyl)decanoate (CID 91692516) is propan-2-yl 10-(2-hexylcyclopropyl)decanoate.
What is the SMILES notation for propan-2-yl 10-(2-hexylcyclopropyl)decanoate?
The canonical SMILES for propan-2-yl 10-(2-hexylcyclopropyl)decanoate is CCCCCCC1CC1CCCCCCCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 10-(2-hexylcyclopropyl)decanoate?
The InChIKey is JFKKICMLQZDMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-4-5-6-12-15-20-18-21(20)16-13-10-8-7-9-11-14-17-22(23)24-19(2)3/h19-21H,4-18H2,1-3H3.
What are the key properties of propan-2-yl 10-(2-hexylcyclopropyl)decanoate?
propan-2-yl 10-(2-hexylcyclopropyl)decanoate has a molecular weight of 338.58 g/mol, XLogP of 7.06, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 10-(2-hexylcyclopropyl)decanoate is sourced from PubChem (CID 91692516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).