undecoxymethylidenecyclobutane

C16H30O — CID 165120762

IUPACundecoxymethylidenecyclobutane
SMILESCCCCCCCCCCCOC=C1CCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-14-17-15-16-12-11-13-16/h15H,2-14H2,1H3
InChIKeyHSPOHEBCCBRVSS-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.60
Rot. Bonds11

About undecoxymethylidenecyclobutane

undecoxymethylidenecyclobutane (PubChem CID 165120762) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is undecoxymethylidenecyclobutane.

Molecular Properties

Compound Nameundecoxymethylidenecyclobutane
PubChem CID165120762
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Nameundecoxymethylidenecyclobutane
SMILESCCCCCCCCCCCOC=C1CCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-14-17-15-16-12-11-13-16/h15H,2-14H2,1H3
InChIKeyHSPOHEBCCBRVSS-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.60
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

dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
CID 176605301
hexylidenecyclobutane
CID 86127710
1-ethenoxytriacontane
CID 14647805
hexacosyl formate
CID 87446465
1,2,3,3-tetramethyl-5-(pentadecoxymethylidene)cyclopentene
CID 166592218
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138
1-prop-1-enoxydecane
CID 54116737
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
cyclopentanone;heptane
CID 20975482

Frequently Asked Questions

What is the IUPAC name of undecoxymethylidenecyclobutane?
The IUPAC name of undecoxymethylidenecyclobutane (CID 165120762) is undecoxymethylidenecyclobutane.
What is the SMILES notation for undecoxymethylidenecyclobutane?
The canonical SMILES for undecoxymethylidenecyclobutane is CCCCCCCCCCCOC=C1CCC1.
What is the InChIKey of undecoxymethylidenecyclobutane?
The InChIKey is HSPOHEBCCBRVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-14-17-15-16-12-11-13-16/h15H,2-14H2,1H3.
What are the key properties of undecoxymethylidenecyclobutane?
undecoxymethylidenecyclobutane has a molecular weight of 238.41 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undecoxymethylidenecyclobutane is sourced from PubChem (CID 165120762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).