4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol

C16H26O3 — CID 151828765

IUPAC4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
SMILESCC=C1C(C(C)(C)C)=CC=C(O)C1(COC)COC
InChIInChI=1S/C16H26O3/c1-7-12-13(15(2,3)4)8-9-14(17)16(12,10-18-5)11-19-6/h7-9,17H,10-11H2,1-6H3
InChIKeySEEVTIBQKBUQIW-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.64
Rot. Bonds4

About 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol

4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 151828765) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
PubChem CID151828765
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
SMILESCC=C1C(C(C)(C)C)=CC=C(O)C1(COC)COC
InChIInChI=1S/C16H26O3/c1-7-12-13(15(2,3)4)8-9-14(17)16(12,10-18-5)11-19-6/h7-9,17H,10-11H2,1-6H3
InChIKeySEEVTIBQKBUQIW-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol
CID 69165134
4-Tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
CID 70857252
6,6-Bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
CID 140558584
2,6-Ditert-butyl-6-(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
CID 142679173
5,5-Diethyl-4-(2-hydroxyethyl)-2-prop-2-enylcyclohexa-1,3-dien-1-ol
CID 163778431
2,6-Ditert-butyl-4-(hydroxymethyl)-4-methylcyclohexa-1,5-dien-1-ol
CID 175534280
(2-Methoxy-1-methylcyclohex-2-en-1-yl)methanol
CID 130125222

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol (CID 151828765) is 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol is CC=C1C(C(C)(C)C)=CC=C(O)C1(COC)COC.
What is the InChIKey of 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is SEEVTIBQKBUQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-7-12-13(15(2,3)4)8-9-14(17)16(12,10-18-5)11-19-6/h7-9,17H,10-11H2,1-6H3.
What are the key properties of 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol?
4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 151828765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).