5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene

C18H26O — CID 151278669

IUPAC5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(COCC2(C)C=CC(C)=CC2)C=C1
InChIInChI=1S/C18H26O/c1-15-5-9-17(3,10-6-15)13-19-14-18(4)11-7-16(2)8-12-18/h5-9,11H,10,12-14H2,1-4H3
InChIKeyNXXFZXSVLJIWMC-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.83
Rot. Bonds4

About 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene

5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene (PubChem CID 151278669) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene
PubChem CID151278669
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(COCC2(C)C=CC(C)=CC2)C=C1
InChIInChI=1S/C18H26O/c1-15-5-9-17(3,10-6-15)13-19-14-18(4)11-7-16(2)8-12-18/h5-9,11H,10,12-14H2,1-4H3
InChIKeyNXXFZXSVLJIWMC-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene (CID 151278669) is 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene is CC1=CCC(C)(COCC2(C)C=CC(C)=CC2)C=C1.
What is the InChIKey of 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene?
The InChIKey is NXXFZXSVLJIWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-15-5-9-17(3,10-6-15)13-19-14-18(4)11-7-16(2)8-12-18/h5-9,11H,10,12-14H2,1-4H3.
What are the key properties of 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene?
5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene has a molecular weight of 258.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)methoxymethyl]-2,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 151278669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).