2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene

C15H26O — CID 90781906

IUPAC2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=C(C(C)C)C=CCC1C(C)C
InChIInChI=1S/C15H26O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6/h7-8,10-12,14H,9H2,1-6H3
InChIKeyZFJPPHBJHDLKSN-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.55
Rot. Bonds4

About 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene

2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 90781906) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene
PubChem CID90781906
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=C(C(C)C)C=CCC1C(C)C
InChIInChI=1S/C15H26O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6/h7-8,10-12,14H,9H2,1-6H3
InChIKeyZFJPPHBJHDLKSN-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene (CID 90781906) is 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene is CC(C)OC1=C(C(C)C)C=CCC1C(C)C.
What is the InChIKey of 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is ZFJPPHBJHDLKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6/h7-8,10-12,14H,9H2,1-6H3.
What are the key properties of 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene?
2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 222.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 90781906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).