1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene

C25H46O — CID 166592218

IUPAC1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene
SMILESCCCCCCCCCCCCCCCOC=C1CC(C)(C)C(C)=C1C
InChIInChI=1S/C25H46O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-24-20-25(4,5)23(3)22(24)2/h21H,6-20H2,1-5H3
InChIKeyARMZEBGXRJXRGF-UHFFFAOYSA-N
MW362.64 g/mol
LogP8.74
Rot. Bonds15

About 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene

1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene (PubChem CID 166592218) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene.

Molecular Properties

Compound Name1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene
PubChem CID166592218
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene
SMILESCCCCCCCCCCCCCCCOC=C1CC(C)(C)C(C)=C1C
InChIInChI=1S/C25H46O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-24-20-25(4,5)23(3)22(24)2/h21H,6-20H2,1-5H3
InChIKeyARMZEBGXRJXRGF-UHFFFAOYSA-N
XLogP8.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

undecoxymethylidenecyclobutane
CID 165120762
1-ethenoxytriacontane
CID 14647805
hexacosyl formate
CID 87446465
1-prop-1-enoxydecane
CID 54116737
CID 162323226
CID 162323226
decyl formate;hydrochloride
CID 174405844
dimethyl(undecoxymethylidene)azanium
CID 134896282
1-(2-methylprop-1-enoxy)heptane
CID 22234809
1-[(E)-but-1-enoxy]heptane
CID 5366295
5-(2-decoxyethenyl)-2-ethoxy-5-methylcyclohexa-1,3-diene
CID 139905552
octyl (2Z)-2-(2-hydroxy-4,4-dimethylcyclopentylidene)acetate
CID 101395815
decane;ruthenium
CID 160818595

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene?
The IUPAC name of 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene (CID 166592218) is 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene.
What is the SMILES notation for 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene?
The canonical SMILES for 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene is CCCCCCCCCCCCCCCOC=C1CC(C)(C)C(C)=C1C.
What is the InChIKey of 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene?
The InChIKey is ARMZEBGXRJXRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-24-20-25(4,5)23(3)22(24)2/h21H,6-20H2,1-5H3.
What are the key properties of 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene?
1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene has a molecular weight of 362.64 g/mol, XLogP of 8.74, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene is sourced from PubChem (CID 166592218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).