cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane

C11H20 — CID 134900853

IUPACcis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane
SMILESC=CCC[C@H]1C[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+/m0/s1
InChIKeyQVQBEBUVWOWLRS-WDEREUQCSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds6

About cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane

cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane (PubChem CID 134900853) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane
PubChem CID134900853
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Namecis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane
SMILESC=CCC[C@H]1C[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+/m0/s1
InChIKeyQVQBEBUVWOWLRS-WDEREUQCSA-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 ≤ 500152.28
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 cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane?
The IUPAC name of cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane (CID 134900853) is cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane.
What is the SMILES notation for cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane?
The canonical SMILES for cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane is C=CCC[C@H]1C[C@H]1CCCC.
What is the InChIKey of cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane?
The InChIKey is QVQBEBUVWOWLRS-WDEREUQCSA-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+/m0/s1.
What are the key properties of cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane?
cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane has a molecular weight of 152.28 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 cis-(1S,2R)-1-but-3-enyl-2-butylcyclopropane is sourced from PubChem (CID 134900853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).