1-tert-butyl-4-prop-2-enoxycyclohexane

C13H24O — CID 10821740

IUPAC1-tert-butyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyBTSNTMPYBNYSAI-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds3

About 1-tert-butyl-4-prop-2-enoxycyclohexane

1-tert-butyl-4-prop-2-enoxycyclohexane (PubChem CID 10821740) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-tert-butyl-4-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-prop-2-enoxycyclohexane
PubChem CID10821740
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-tert-butyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyBTSNTMPYBNYSAI-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-prop-2-enoxycyclohexane?
The IUPAC name of 1-tert-butyl-4-prop-2-enoxycyclohexane (CID 10821740) is 1-tert-butyl-4-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-tert-butyl-4-prop-2-enoxycyclohexane?
The canonical SMILES for 1-tert-butyl-4-prop-2-enoxycyclohexane is C=CCOC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-prop-2-enoxycyclohexane?
The InChIKey is BTSNTMPYBNYSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of 1-tert-butyl-4-prop-2-enoxycyclohexane?
1-tert-butyl-4-prop-2-enoxycyclohexane has a molecular weight of 196.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-prop-2-enoxycyclohexane is sourced from PubChem (CID 10821740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).