trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane

C10H16 — CID 3084819

IUPACtrans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane
SMILESC=C[C@@]1(C)CC[C@H]1C(=C)C
InChIInChI=1S/C10H16/c1-5-10(4)7-6-9(10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10-/m0/s1
InChIKeyHRWMELJDGVNKEO-UWVGGRQHSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds2

About trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane

trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane (PubChem CID 3084819) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane
PubChem CID3084819
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nametrans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane
SMILESC=C[C@@]1(C)CC[C@H]1C(=C)C
InChIInChI=1S/C10H16/c1-5-10(4)7-6-9(10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10-/m0/s1
InChIKeyHRWMELJDGVNKEO-UWVGGRQHSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
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,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane?
The IUPAC name of trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane (CID 3084819) is trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane.
What is the SMILES notation for trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane?
The canonical SMILES for trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane is C=C[C@@]1(C)CC[C@H]1C(=C)C.
What is the InChIKey of trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane?
The InChIKey is HRWMELJDGVNKEO-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16/c1-5-10(4)7-6-9(10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10-/m0/s1.
What are the key properties of trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane?
trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane has a molecular weight of 136.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclobutane is sourced from PubChem (CID 3084819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).