2-propan-2-yloxycyclohexa-1,5-dien-1-ol

C9H14O2 — CID 146937661

IUPAC2-propan-2-yloxycyclohexa-1,5-dien-1-ol
SMILESCC(C)OC1=C(O)C=CCC1
InChIInChI=1S/C9H14O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3,5,7,10H,4,6H2,1-2H3
InChIKeyAGFYMKNMPCWVLT-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.53
Rot. Bonds2

About 2-propan-2-yloxycyclohexa-1,5-dien-1-ol

2-propan-2-yloxycyclohexa-1,5-dien-1-ol (PubChem CID 146937661) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-propan-2-yloxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-propan-2-yloxycyclohexa-1,5-dien-1-ol
PubChem CID146937661
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-propan-2-yloxycyclohexa-1,5-dien-1-ol
SMILESCC(C)OC1=C(O)C=CCC1
InChIInChI=1S/C9H14O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3,5,7,10H,4,6H2,1-2H3
InChIKeyAGFYMKNMPCWVLT-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yloxycyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-propan-2-yloxycyclohexa-1,5-dien-1-ol (CID 146937661) is 2-propan-2-yloxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-propan-2-yloxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-propan-2-yloxycyclohexa-1,5-dien-1-ol is CC(C)OC1=C(O)C=CCC1.
What is the InChIKey of 2-propan-2-yloxycyclohexa-1,5-dien-1-ol?
The InChIKey is AGFYMKNMPCWVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3,5,7,10H,4,6H2,1-2H3.
What are the key properties of 2-propan-2-yloxycyclohexa-1,5-dien-1-ol?
2-propan-2-yloxycyclohexa-1,5-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 146937661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).