12-(3-propan-2-yloxypropoxy)dodecylbenzene

C24H42O2 — CID 170688779

IUPAC12-(3-propan-2-yloxypropoxy)dodecylbenzene
SMILESCC(C)OCCCOCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C24H42O2/c1-23(2)26-22-16-21-25-20-15-10-8-6-4-3-5-7-9-12-17-24-18-13-11-14-19-24/h11,13-14,18-19,23H,3-10,12,15-17,20-22H2,1-2H3
InChIKeyHPTJFNMVSCVMFE-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.96
Rot. Bonds18

About 12-(3-propan-2-yloxypropoxy)dodecylbenzene

12-(3-propan-2-yloxypropoxy)dodecylbenzene (PubChem CID 170688779) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 12-(3-propan-2-yloxypropoxy)dodecylbenzene.

Molecular Properties

Compound Name12-(3-propan-2-yloxypropoxy)dodecylbenzene
PubChem CID170688779
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name12-(3-propan-2-yloxypropoxy)dodecylbenzene
SMILESCC(C)OCCCOCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C24H42O2/c1-23(2)26-22-16-21-25-20-15-10-8-6-4-3-5-7-9-12-17-24-18-13-11-14-19-24/h11,13-14,18-19,23H,3-10,12,15-17,20-22H2,1-2H3
InChIKeyHPTJFNMVSCVMFE-UHFFFAOYSA-N
XLogP6.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 12-(3-propan-2-yloxypropoxy)dodecylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

6-propan-2-yloxyhexylbenzene
CID 57124523
8-(8-phenyloctoxy)octylbenzene
CID 56628536
1-fluoro-3-[12-(3-propan-2-yloxypropoxy)dodecyl]benzene
CID 170689156
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833
4-octadecoxybutylbenzene
CID 70977182
6-propoxyhexylbenzene
CID 54255597
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
6-ethoxyhexylbenzene
CID 54300935

Frequently Asked Questions

What is the IUPAC name of 12-(3-propan-2-yloxypropoxy)dodecylbenzene?
The IUPAC name of 12-(3-propan-2-yloxypropoxy)dodecylbenzene (CID 170688779) is 12-(3-propan-2-yloxypropoxy)dodecylbenzene.
What is the SMILES notation for 12-(3-propan-2-yloxypropoxy)dodecylbenzene?
The canonical SMILES for 12-(3-propan-2-yloxypropoxy)dodecylbenzene is CC(C)OCCCOCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 12-(3-propan-2-yloxypropoxy)dodecylbenzene?
The InChIKey is HPTJFNMVSCVMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-23(2)26-22-16-21-25-20-15-10-8-6-4-3-5-7-9-12-17-24-18-13-11-14-19-24/h11,13-14,18-19,23H,3-10,12,15-17,20-22H2,1-2H3.
What are the key properties of 12-(3-propan-2-yloxypropoxy)dodecylbenzene?
12-(3-propan-2-yloxypropoxy)dodecylbenzene has a molecular weight of 362.60 g/mol, XLogP of 6.96, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-propan-2-yloxypropoxy)dodecylbenzene is sourced from PubChem (CID 170688779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).