1-tert-butyl-4-propylidenecyclohexane

C13H24 — CID 13280443

IUPAC1-tert-butyl-4-propylidenecyclohexane
SMILESCCC=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h6,12H,5,7-10H2,1-4H3/b11-6-
InChIKeyFELKVUBZSBLDIL-WDZFZDKYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds1

About 1-tert-butyl-4-propylidenecyclohexane

1-tert-butyl-4-propylidenecyclohexane (PubChem CID 13280443) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-tert-butyl-4-propylidenecyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-propylidenecyclohexane
PubChem CID13280443
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-tert-butyl-4-propylidenecyclohexane
SMILESCCC=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h6,12H,5,7-10H2,1-4H3/b11-6-
InChIKeyFELKVUBZSBLDIL-WDZFZDKYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
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 1-tert-butyl-4-propylidenecyclohexane?
The IUPAC name of 1-tert-butyl-4-propylidenecyclohexane (CID 13280443) is 1-tert-butyl-4-propylidenecyclohexane.
What is the SMILES notation for 1-tert-butyl-4-propylidenecyclohexane?
The canonical SMILES for 1-tert-butyl-4-propylidenecyclohexane is CCC=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-propylidenecyclohexane?
The InChIKey is FELKVUBZSBLDIL-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H24/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h6,12H,5,7-10H2,1-4H3/b11-6-.
What are the key properties of 1-tert-butyl-4-propylidenecyclohexane?
1-tert-butyl-4-propylidenecyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propylidenecyclohexane is sourced from PubChem (CID 13280443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).