trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane

C9H14 — CID 134886716

IUPACtrans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/[C@H]1C[C@@H]1/C=C/C
InChIInChI=1S/C9H14/c1-3-5-8-7-9(8)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3+,6-4+/t8-,9-/m0/s1
InChIKeyTTYIJTXBBRUWBF-NYDMHHSESA-N
MW122.21 g/mol
LogP2.77
Rot. Bonds2

About trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane

trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane (PubChem CID 134886716) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane
PubChem CID134886716
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Nametrans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/[C@H]1C[C@@H]1/C=C/C
InChIInChI=1S/C9H14/c1-3-5-8-7-9(8)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3+,6-4+/t8-,9-/m0/s1
InChIKeyTTYIJTXBBRUWBF-NYDMHHSESA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
The IUPAC name of trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane (CID 134886716) is trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
The canonical SMILES for trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane is C/C=C/[C@H]1C[C@@H]1/C=C/C.
What is the InChIKey of trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
The InChIKey is TTYIJTXBBRUWBF-NYDMHHSESA-N. The full InChI is InChI=1S/C9H14/c1-3-5-8-7-9(8)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3+,6-4+/t8-,9-/m0/s1.
What are the key properties of trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane?
trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-bis[(E)-prop-1-enyl]cyclopropane is sourced from PubChem (CID 134886716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).