trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane

C10H18 — CID 162732695

IUPACtrans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane
SMILESC=C(C)[C@H]1C[C@@H](C)C1(C)C
InChIInChI=1S/C10H18/c1-7(2)9-6-8(3)10(9,4)5/h8-9H,1,6H2,2-5H3/t8-,9-/m1/s1
InChIKeyAXZKKFOTXBXCDA-RKDXNWHRSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds1

About trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane

trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane (PubChem CID 162732695) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Nametrans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane
PubChem CID162732695
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Nametrans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane
SMILESC=C(C)[C@H]1C[C@@H](C)C1(C)C
InChIInChI=1S/C10H18/c1-7(2)9-6-8(3)10(9,4)5/h8-9H,1,6H2,2-5H3/t8-,9-/m1/s1
InChIKeyAXZKKFOTXBXCDA-RKDXNWHRSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.24
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-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane?
The IUPAC name of trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane (CID 162732695) is trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane.
What is the SMILES notation for trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane?
The canonical SMILES for trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane is C=C(C)[C@H]1C[C@@H](C)C1(C)C.
What is the InChIKey of trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane?
The InChIKey is AXZKKFOTXBXCDA-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18/c1-7(2)9-6-8(3)10(9,4)5/h8-9H,1,6H2,2-5H3/t8-,9-/m1/s1.
What are the key properties of trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane?
trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane has a molecular weight of 138.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane is sourced from PubChem (CID 162732695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).