trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane

C11H20 — CID 10261285

IUPACtrans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane
SMILES[2H][C@@]1(CCC=C)C[C@@H]1CCCC
InChIInChI=1S/C11H20/c1-3-5-7-10-9-11(10)8-6-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11+/m1/s1/i10D
InChIKeyQVQBEBUVWOWLRS-FXUWQMQVSA-N
MW153.29 g/mol
LogP3.78
Rot. Bonds6

About trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane

trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane (PubChem CID 10261285) has the molecular formula C11H20 and a molecular weight of 153.29 g/mol. Its IUPAC name is trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane
PubChem CID10261285
Molecular FormulaC11H20
Molecular Weight153.29 g/mol
Exact Mass153.16
IUPAC Nametrans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane
SMILES[2H][C@@]1(CCC=C)C[C@@H]1CCCC
InChIInChI=1S/C11H20/c1-3-5-7-10-9-11(10)8-6-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11+/m1/s1/i10D
InChIKeyQVQBEBUVWOWLRS-FXUWQMQVSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyloct-1-ene
CID 21085
10-Methyl-1-undecene
CID 519941
Vinylcyclooctane
CID 93331
8-Methyldec-1-ene
CID 521957
3,4-Dimethyl-1-decene
CID 545635
4,6,8-Trimethyl-1-nonene
CID 41077
8-Methyl-1-undecene
CID 522552
7-Methyl-1-undecene
CID 522554
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166
1-Decene, dimer
CID 22833390
(3Z)-9-Methyl-3-undecene
CID 550666
7-Methyl-1-octene
CID 518714

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane?
The IUPAC name of trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane (CID 10261285) is trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane.
What is the SMILES notation for trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane?
The canonical SMILES for trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane is [2H][C@@]1(CCC=C)C[C@@H]1CCCC.
What is the InChIKey of trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane?
The InChIKey is QVQBEBUVWOWLRS-FXUWQMQVSA-N. The full InChI is InChI=1S/C11H20/c1-3-5-7-10-9-11(10)8-6-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11+/m1/s1/i10D.
What are the key properties of trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane?
trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane has a molecular weight of 153.29 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-but-3-enyl-2-butyl-1-deuteriocyclopropane is sourced from PubChem (CID 10261285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).