(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl

C18H29O2 — CID 165356532

IUPAC—
SMILESCC(C)(C)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O]
InChIInChI=1S/C18H29O2/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)20-18(7,8)9/h10-11H,1-9H3
InChIKeyROIKSFMQTDPHAL-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.60
Rot. Bonds1

About (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl

(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl (PubChem CID 165356532) has the molecular formula C18H29O2 and a molecular weight of 277.43 g/mol.

Molecular Properties

Compound Name(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl
PubChem CID165356532
Molecular FormulaC18H29O2
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name—
SMILESCC(C)(C)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O]
InChIInChI=1S/C18H29O2/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)20-18(7,8)9/h10-11H,1-9H3
InChIKeyROIKSFMQTDPHAL-UHFFFAOYSA-N
XLogP5.60
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl?
The IUPAC name of (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl (CID 165356532) is not available.
What is the SMILES notation for (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl?
The canonical SMILES for (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl is CC(C)(C)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O].
What is the InChIKey of (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl?
The InChIKey is ROIKSFMQTDPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O2/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)20-18(7,8)9/h10-11H,1-9H3.
What are the key properties of (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl?
(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl has a molecular weight of 277.43 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl is sourced from PubChem (CID 165356532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).