(4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene

C15H24O — CID 6441884

IUPAC(4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene
SMILESC1=C2/CCC23COCC3CCCCCCC/1
InChIInChI=1S/C15H24O/c1-2-4-6-8-14-11-16-12-15(14)10-9-13(15)7-5-3-1/h7,14H,1-6,8-12H2/b13-7-
InChIKeyQMQOUTVLZITRGI-QPEQYQDCSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds

About (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene

(4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene (PubChem CID 6441884) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene.

Molecular Properties

Compound Name(4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene
PubChem CID6441884
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene
SMILESC1=C2/CCC23COCC3CCCCCCC/1
InChIInChI=1S/C15H24O/c1-2-4-6-8-14-11-16-12-15(14)10-9-13(15)7-5-3-1/h7,14H,1-6,8-12H2/b13-7-
InChIKeyQMQOUTVLZITRGI-QPEQYQDCSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,3a,4,5,6,7,8,9,10,11,13a-Dodecahydrocyclododeca(c)furan
CID 5750515
2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
2-(2-Methoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 12547710
6,6-Dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
CID 15410424
14-Oxabicyclo[10.3.0]pentadec-10-ene
CID 103490
2-(2-Ethoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 15410423
Tetrahydro-3-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan
CID 3024244
(4Z)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 5937114
(3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene
CID 168880994
(3S)-3-[(2S,3S)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene
CID 169852233
(3R)-3-[(2R,3S)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene
CID 169858894
(3R)-3-[(2R,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene
CID 169858956

Frequently Asked Questions

What is the IUPAC name of (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene?
The IUPAC name of (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene (CID 6441884) is (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene.
What is the SMILES notation for (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene?
The canonical SMILES for (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene is C1=C2/CCC23COCC3CCCCCCC/1.
What is the InChIKey of (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene?
The InChIKey is QMQOUTVLZITRGI-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H24O/c1-2-4-6-8-14-11-16-12-15(14)10-9-13(15)7-5-3-1/h7,14H,1-6,8-12H2/b13-7-.
What are the key properties of (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene?
(4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene has a molecular weight of 220.36 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene is sourced from PubChem (CID 6441884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).