1-tert-butyl-4-(methoxymethyl)cyclohexane

C12H24O — CID 134855077

IUPAC1-tert-butyl-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h10-11H,5-9H2,1-4H3
InChIKeyXRUIKAFVHSQAGH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.49
Rot. Bonds2

About 1-tert-butyl-4-(methoxymethyl)cyclohexane

1-tert-butyl-4-(methoxymethyl)cyclohexane (PubChem CID 134855077) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-tert-butyl-4-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(methoxymethyl)cyclohexane
PubChem CID134855077
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-tert-butyl-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h10-11H,5-9H2,1-4H3
InChIKeyXRUIKAFVHSQAGH-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(methoxymethyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(methoxymethyl)cyclohexane (CID 134855077) is 1-tert-butyl-4-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(methoxymethyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(methoxymethyl)cyclohexane is COCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(methoxymethyl)cyclohexane?
The InChIKey is XRUIKAFVHSQAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(methoxymethyl)cyclohexane?
1-tert-butyl-4-(methoxymethyl)cyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(methoxymethyl)cyclohexane is sourced from PubChem (CID 134855077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).