1-propan-2-ylcyclohepta-1,3,5-triene

C10H14 — CID 20800714

IUPAC1-propan-2-ylcyclohepta-1,3,5-triene
SMILESCC(C)C1=CC=CC=CC1
InChIInChI=1S/C10H14/c1-9(2)10-7-5-3-4-6-8-10/h3-7,9H,8H2,1-2H3
InChIKeySKYIGJKUUFNUTR-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds1

About 1-propan-2-ylcyclohepta-1,3,5-triene

1-propan-2-ylcyclohepta-1,3,5-triene (PubChem CID 20800714) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-propan-2-ylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-propan-2-ylcyclohepta-1,3,5-triene
PubChem CID20800714
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-propan-2-ylcyclohepta-1,3,5-triene
SMILESCC(C)C1=CC=CC=CC1
InChIInChI=1S/C10H14/c1-9(2)10-7-5-3-4-6-8-10/h3-7,9H,8H2,1-2H3
InChIKeySKYIGJKUUFNUTR-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylcyclohepta-1,3,5-triene?
The IUPAC name of 1-propan-2-ylcyclohepta-1,3,5-triene (CID 20800714) is 1-propan-2-ylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1-propan-2-ylcyclohepta-1,3,5-triene?
The canonical SMILES for 1-propan-2-ylcyclohepta-1,3,5-triene is CC(C)C1=CC=CC=CC1.
What is the InChIKey of 1-propan-2-ylcyclohepta-1,3,5-triene?
The InChIKey is SKYIGJKUUFNUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-9(2)10-7-5-3-4-6-8-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-propan-2-ylcyclohepta-1,3,5-triene?
1-propan-2-ylcyclohepta-1,3,5-triene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylcyclohepta-1,3,5-triene is sourced from PubChem (CID 20800714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).