trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane

C22H40 — CID 54243743

IUPACtrans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
SMILESCCCCC=CC[C@H]1CCC[C@@H]1C=CCCCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-10-11-13-15-18-22-20-16-19-21(22)17-14-12-8-6-4-2/h12,14-15,18,21-22H,3-11,13,16-17,19-20H2,1-2H3/t21-,22-/m0/s1
InChIKeyQRUNIJMKJYKNSQ-VXKWHMMOSA-N
MW304.56 g/mol
LogP7.85
Rot. Bonds13

About trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane

trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane (PubChem CID 54243743) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
PubChem CID54243743
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Nametrans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
SMILESCCCCC=CC[C@H]1CCC[C@@H]1C=CCCCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-10-11-13-15-18-22-20-16-19-21(22)17-14-12-8-6-4-2/h12,14-15,18,21-22H,3-11,13,16-17,19-20H2,1-2H3/t21-,22-/m0/s1
InChIKeyQRUNIJMKJYKNSQ-VXKWHMMOSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
CID 70607428
[(Z)-8-[(1R,2S)-2-[(E)-dec-1-enyl]cyclopentyl]-2,2-dihydroxyoct-6-enyl] acetate
CID 70607210
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane?
The IUPAC name of trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane (CID 54243743) is trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane.
What is the SMILES notation for trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane?
The canonical SMILES for trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane is CCCCC=CC[C@H]1CCC[C@@H]1C=CCCCCCCCC.
What is the InChIKey of trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane?
The InChIKey is QRUNIJMKJYKNSQ-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H40/c1-3-5-7-9-10-11-13-15-18-22-20-16-19-21(22)17-14-12-8-6-4-2/h12,14-15,18,21-22H,3-11,13,16-17,19-20H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane?
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane has a molecular weight of 304.56 g/mol, XLogP of 7.85, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane is sourced from PubChem (CID 54243743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).