1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene

C12H20O — CID 13411472

IUPAC1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=CC=C(C(C)C)CC1
InChIInChI=1S/C12H20O/c1-9(2)11-5-7-12(8-6-11)13-10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyCGSNCMNJCSCMBY-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.67
Rot. Bonds3

About 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene

1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 13411472) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene
PubChem CID13411472
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=CC=C(C(C)C)CC1
InChIInChI=1S/C12H20O/c1-9(2)11-5-7-12(8-6-11)13-10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyCGSNCMNJCSCMBY-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene (CID 13411472) is 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene is CC(C)OC1=CC=C(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is CGSNCMNJCSCMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)11-5-7-12(8-6-11)13-10(3)4/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene?
1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 13411472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).