1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane

C13H24O — CID 59050412

IUPAC1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane
SMILESC=CCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H24O/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11/h6,11H,1,7-10H2,2-5H3
InChIKeyFKMZGSVOYDTMNF-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds3

About 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane

1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane (PubChem CID 59050412) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane
PubChem CID59050412
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane
SMILESC=CCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H24O/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11/h6,11H,1,7-10H2,2-5H3
InChIKeyFKMZGSVOYDTMNF-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 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane?
The IUPAC name of 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane (CID 59050412) is 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane.
What is the SMILES notation for 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane?
The canonical SMILES for 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane is C=CCOC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane?
The InChIKey is FKMZGSVOYDTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane?
1,1,3,3-tetramethyl-5-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 1,1,3,3-tetramethyl-5-prop-2-enoxycyclohexane is sourced from PubChem (CID 59050412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).