1,2,3-tritert-butylcyclopropene

C15H27+ — CID 12501691

IUPAC1,2,3-tritert-butylcyclopropene
SMILESCC(C)(C)c1c(C(C)(C)C)[c+]1C(C)(C)C
InChIInChI=1S/C15H27/c1-13(2,3)10-11(14(4,5)6)12(10)15(7,8)9/h1-9H3/q+1
InChIKeyLEHYSEAHPFQCKZ-UHFFFAOYSA-N
MW207.38 g/mol
LogP4.74
Rot. Bonds

About 1,2,3-tritert-butylcyclopropene

1,2,3-tritert-butylcyclopropene (PubChem CID 12501691) has the molecular formula C15H27+ and a molecular weight of 207.38 g/mol. Its IUPAC name is 1,2,3-tritert-butylcyclopropene.

Molecular Properties

Compound Name1,2,3-tritert-butylcyclopropene
PubChem CID12501691
Molecular FormulaC15H27+
Molecular Weight207.38 g/mol
Exact Mass207.21
IUPAC Name1,2,3-tritert-butylcyclopropene
SMILESCC(C)(C)c1c(C(C)(C)C)[c+]1C(C)(C)C
InChIInChI=1S/C15H27/c1-13(2,3)10-11(14(4,5)6)12(10)15(7,8)9/h1-9H3/q+1
InChIKeyLEHYSEAHPFQCKZ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 71141817
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CID 58542603
4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole
CID 130396675
3,8,13,18-tetratert-butyl-2,5,7,10,12,15,17,28-octazanonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1(28),3,5,8,10,13,15,18,20,22,24,26-dodecaene
CID 177441898
1,4-ditert-butylcyclopenta-1,2,3-triene
CID 101174423
tert-butylbenzene;molecular nitrogen
CID 146464751
chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)
CID 139164166
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736
2-methylpropan-2-ol;neodymium
CID 154348927
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
(4-tert-butylphenyl)sulfanium chloride
CID 172830527
2,4,6-tritert-butyl-1,1-dimethyl-1λ5-phosphacyclohexa-1,3,5-triene
CID 134913041

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tritert-butylcyclopropene?
The IUPAC name of 1,2,3-tritert-butylcyclopropene (CID 12501691) is 1,2,3-tritert-butylcyclopropene.
What is the SMILES notation for 1,2,3-tritert-butylcyclopropene?
The canonical SMILES for 1,2,3-tritert-butylcyclopropene is CC(C)(C)c1c(C(C)(C)C)[c+]1C(C)(C)C.
What is the InChIKey of 1,2,3-tritert-butylcyclopropene?
The InChIKey is LEHYSEAHPFQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27/c1-13(2,3)10-11(14(4,5)6)12(10)15(7,8)9/h1-9H3/q+1.
What are the key properties of 1,2,3-tritert-butylcyclopropene?
1,2,3-tritert-butylcyclopropene has a molecular weight of 207.38 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tritert-butylcyclopropene is sourced from PubChem (CID 12501691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).