5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene

C14H18Cl2O2 — CID 23282405

IUPAC5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene
SMILESCC(CCCOCC=C(Cl)Cl)Oc1ccccc1
InChIInChI=1S/C14H18Cl2O2/c1-12(18-13-7-3-2-4-8-13)6-5-10-17-11-9-14(15)16/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyMRFPMYJVYZDSDB-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.57
Rot. Bonds8

About 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene

5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene (PubChem CID 23282405) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene.

Molecular Properties

Compound Name5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene
PubChem CID23282405
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene
SMILESCC(CCCOCC=C(Cl)Cl)Oc1ccccc1
InChIInChI=1S/C14H18Cl2O2/c1-12(18-13-7-3-2-4-8-13)6-5-10-17-11-9-14(15)16/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyMRFPMYJVYZDSDB-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromohexan-2-yloxybenzene
CID 150425058
decan-2-yloxybenzene
CID 12838331
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
2-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]-N-phenoxyethanimine
CID 54013461
1-phenoxyethanol
CID 66611531
1-nonoxypropan-2-yloxybenzene
CID 154296421
chloroform;1-phenoxyethanol
CID 160851082
1-phenoxyethanol;trihydrate
CID 175915128
4-(4-pentylcyclohexyl)butan-2-yloxybenzene
CID 70114949
2-phenoxypropyl dihydrogen phosphate
CID 21023142
bis(2-phenoxypropyl) hydrogen phosphate
CID 21023163
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene?
The IUPAC name of 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene (CID 23282405) is 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene.
What is the SMILES notation for 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene?
The canonical SMILES for 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene is CC(CCCOCC=C(Cl)Cl)Oc1ccccc1.
What is the InChIKey of 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene?
The InChIKey is MRFPMYJVYZDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-12(18-13-7-3-2-4-8-13)6-5-10-17-11-9-14(15)16/h2-4,7-9,12H,5-6,10-11H2,1H3.
What are the key properties of 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene?
5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene has a molecular weight of 289.20 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dichloroprop-2-enoxy)pentan-2-yloxybenzene is sourced from PubChem (CID 23282405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).