3-decyl-2-ethylideneoxolane

C16H30O — CID 174682271

IUPAC3-decyl-2-ethylideneoxolane
SMILESCC=C1OCCC1CCCCCCCCCC
InChIInChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-15-13-14-17-16(15)4-2/h4,15H,3,5-14H2,1-2H3
InChIKeyZOMCUQKTBWEOGC-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds9

About 3-decyl-2-ethylideneoxolane

3-decyl-2-ethylideneoxolane (PubChem CID 174682271) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-decyl-2-ethylideneoxolane.

Molecular Properties

Compound Name3-decyl-2-ethylideneoxolane
PubChem CID174682271
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-decyl-2-ethylideneoxolane
SMILESCC=C1OCCC1CCCCCCCCCC
InChIInChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-15-13-14-17-16(15)4-2/h4,15H,3,5-14H2,1-2H3
InChIKeyZOMCUQKTBWEOGC-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethylidene-2-nonylcyclopropane
CID 123774367
3-dodecyloxetan-2-one
CID 165020567
2-pentadecylcyclopropan-1-one
CID 70874004
3-hexyl-1-methoxypiperidine-2,6-dione
CID 59172801
(2E)-2-ethylidene-4-hexyl-1,3-dioxolane
CID 70507819
2-decylcyclopentan-1-one
CID 12823821
3-[7-(4-heptylphenyl)heptyl]oxan-2-one
CID 21248001
11-(2-oxooxolan-3-yl)undecyl butanoate
CID 70573527
[(3S,4S)-3-hexyl-2-oxooxan-4-yl] acetate
CID 22853396
4-pentadecyloxepan-2-one
CID 132822140
1-heptyl-2-methylidenecyclopropane
CID 173435427
2-octadecyloxetane
CID 168986267

Frequently Asked Questions

What is the IUPAC name of 3-decyl-2-ethylideneoxolane?
The IUPAC name of 3-decyl-2-ethylideneoxolane (CID 174682271) is 3-decyl-2-ethylideneoxolane.
What is the SMILES notation for 3-decyl-2-ethylideneoxolane?
The canonical SMILES for 3-decyl-2-ethylideneoxolane is CC=C1OCCC1CCCCCCCCCC.
What is the InChIKey of 3-decyl-2-ethylideneoxolane?
The InChIKey is ZOMCUQKTBWEOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-15-13-14-17-16(15)4-2/h4,15H,3,5-14H2,1-2H3.
What are the key properties of 3-decyl-2-ethylideneoxolane?
3-decyl-2-ethylideneoxolane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2-ethylideneoxolane is sourced from PubChem (CID 174682271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).