4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol

C14H24O3 — CID 70857252

IUPAC4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
SMILESCOCC1=C(O)C(COC)CC(C(C)(C)C)=C1
InChIInChI=1S/C14H24O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6,11,15H,7-9H2,1-5H3
InChIKeySDVWJBALTPBCLY-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.08
Rot. Bonds4

About 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol

4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 70857252) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
PubChem CID70857252
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
SMILESCOCC1=C(O)C(COC)CC(C(C)(C)C)=C1
InChIInChI=1S/C14H24O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6,11,15H,7-9H2,1-5H3
InChIKeySDVWJBALTPBCLY-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol (CID 70857252) is 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol is COCC1=C(O)C(COC)CC(C(C)(C)C)=C1.
What is the InChIKey of 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is SDVWJBALTPBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6,11,15H,7-9H2,1-5H3.
What are the key properties of 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 240.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70857252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).